Alpha-halocarboxylic acids and derivatives

Organic compounds that contain a carboxyl group bonded to a halogen group in the alpha position; halogen groups consist of one or more halogen atoms (F, Cl, B, I, At). Includes compounds that are derived from alpha-halocarboxylic acids.

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1 – 15 of 572 results

Chloroacetic acid, ACS, 99%

CAS: 79-11-8 Molecular Formula: C2H3ClO2 Molecular Weight (g/mol): 94.494 MDL Number: MFCD00002683 InChI Key: FOCAUTSVDIKZOP-UHFFFAOYSA-N Synonym: chloroacetic acid,monochloroacetic acid,chloracetic acid,acetic acid, chloro,acide chloracetique,chloroethanoic acid,monochloroethanoic acid,monochloracetic acid,monochloorazijnzuur,monochloressigsaeure PubChem CID: 300 ChEBI: CHEBI:27869 IUPAC Name: 2-chloroacetic acid SMILES: C(C(=O)O)Cl

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PubChem CID	300
CAS	79-11-8
Molecular Weight (g/mol)	94.494
ChEBI	CHEBI:27869
MDL Number	MFCD00002683
SMILES	C(C(=O)O)Cl
Synonym	chloroacetic acid,monochloroacetic acid,chloracetic acid,acetic acid, chloro,acide chloracetique,chloroethanoic acid,monochloroethanoic acid,monochloracetic acid,monochloorazijnzuur,monochloressigsaeure
IUPAC Name	2-chloroacetic acid
InChI Key	FOCAUTSVDIKZOP-UHFFFAOYSA-N
Molecular Formula	C2H3ClO2

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tert-Butyl bromoacetate, 98%

CAS: 5292-43-3 Molecular Formula: C6H11BrO2 Molecular Weight (g/mol): 195.06 MDL Number: MFCD00000188 InChI Key: BNWCETAHAJSBFG-UHFFFAOYSA-N Synonym: tert-butyl bromoacetate,t-butyl bromoacetate,acetic acid, bromo-, 1,1-dimethylethyl ester,bromoacetic acid tert-butyl ester,tert-butylbromoacetate,acetic acid, bromo-, tert-butyl ester,brch2c o oc ch3 3,acetic acid, 2-bromo-, 1,1-dimethylethyl ester,bromo-acetic acid tert-butyl ester,tert-butylbromacetat PubChem CID: 79177 IUPAC Name: tert-butyl 2-bromoacetate SMILES: CC(C)(C)OC(=O)CBr

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PubChem CID	79177
CAS	5292-43-3
Molecular Weight (g/mol)	195.06
MDL Number	MFCD00000188
SMILES	CC(C)(C)OC(=O)CBr
Synonym	tert-butyl bromoacetate,t-butyl bromoacetate,acetic acid, bromo-, 1,1-dimethylethyl ester,bromoacetic acid tert-butyl ester,tert-butylbromoacetate,acetic acid, bromo-, tert-butyl ester,brch2c o oc ch3 3,acetic acid, 2-bromo-, 1,1-dimethylethyl ester,bromo-acetic acid tert-butyl ester,tert-butylbromacetat
IUPAC Name	tert-butyl 2-bromoacetate
InChI Key	BNWCETAHAJSBFG-UHFFFAOYSA-N
Molecular Formula	C6H11BrO2

Trifluoroacetic anhydride, 99+%

CAS: 407-25-0 Molecular Formula: C4F6O3 Molecular Weight (g/mol): 210.03 MDL Number: MFCD00000416 InChI Key: QAEDZJGFFMLHHQ-UHFFFAOYSA-N Synonym: trifluoroacetic anhydride,trifluoroacetic acid anhydride,2,2,2-trifluoroacetic anhydride,bis trifluoroacetic anhydride,acetic acid, trifluoro-, anhydride,perfluoroacetic anhydride,trifluoroacetyl anhydride,tfaa,hexafluoroacetic anhydride,anhydrid kyseliny trifluoroctove PubChem CID: 9845 SMILES: FC(F)(F)C(=O)OC(=O)C(F)(F)F

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Specifications

PubChem CID	9845
CAS	407-25-0
Molecular Weight (g/mol)	210.03
MDL Number	MFCD00000416
SMILES	FC(F)(F)C(=O)OC(=O)C(F)(F)F
Synonym	trifluoroacetic anhydride,trifluoroacetic acid anhydride,2,2,2-trifluoroacetic anhydride,bis trifluoroacetic anhydride,acetic acid, trifluoro-, anhydride,perfluoroacetic anhydride,trifluoroacetyl anhydride,tfaa,hexafluoroacetic anhydride,anhydrid kyseliny trifluoroctove
InChI Key	QAEDZJGFFMLHHQ-UHFFFAOYSA-N
Molecular Formula	C4F6O3

Chloroacetic acid, 99%, flakes

CAS: 79-11-8 Molecular Formula: C₂H₃ClO₂ Molecular Weight (g/mol): 94.5 MDL Number: MFCD00002683 InChI Key: FOCAUTSVDIKZOP-UHFFFAOYSA-N Synonym: chloroacetic acid,monochloroacetic acid,chloracetic acid,acetic acid, chloro,acide chloracetique,chloroethanoic acid,monochloroethanoic acid,monochloracetic acid,monochloorazijnzuur,monochloressigsaeure PubChem CID: 300 ChEBI: CHEBI:27869 IUPAC Name: 2-chloroacetic acid SMILES: C(C(=O)O)Cl

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PubChem CID	300
CAS	79-11-8
Molecular Weight (g/mol)	94.5
ChEBI	CHEBI:27869
MDL Number	MFCD00002683
SMILES	C(C(=O)O)Cl
Synonym	chloroacetic acid,monochloroacetic acid,chloracetic acid,acetic acid, chloro,acide chloracetique,chloroethanoic acid,monochloroethanoic acid,monochloracetic acid,monochloorazijnzuur,monochloressigsaeure
IUPAC Name	2-chloroacetic acid
InChI Key	FOCAUTSVDIKZOP-UHFFFAOYSA-N
Molecular Formula	C₂H₃ClO₂

Difluoroacetic acid, 98%

CAS: 381-73-7 Molecular Formula: C₂H₂F₂O₂ Molecular Weight (g/mol): 96.03 MDL Number: MFCD00004220 InChI Key: PBWZKZYHONABLN-UHFFFAOYSA-N Synonym: difluoroacetic acid,acetic acid, difluoro,difluoressigsaeure,1,1-difluoroacetic acid,unii-zqk1c95k3n,zqk1c95k3n,acetic acid, 2,2-difluoro,difluoroaceticacid,difluoracetic acid,difluoro-acetic acid PubChem CID: 9788 ChEBI: CHEBI:23716 IUPAC Name: 2,2-difluoroacetic acid SMILES: C(C(=O)O)(F)F

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PubChem CID	9788
CAS	381-73-7
Molecular Weight (g/mol)	96.03
ChEBI	CHEBI:23716
MDL Number	MFCD00004220
SMILES	C(C(=O)O)(F)F
Synonym	difluoroacetic acid,acetic acid, difluoro,difluoressigsaeure,1,1-difluoroacetic acid,unii-zqk1c95k3n,zqk1c95k3n,acetic acid, 2,2-difluoro,difluoroaceticacid,difluoracetic acid,difluoro-acetic acid
IUPAC Name	2,2-difluoroacetic acid
InChI Key	PBWZKZYHONABLN-UHFFFAOYSA-N
Molecular Formula	C₂H₂F₂O₂

Sodium chloroacetate, 98%

CAS: 3926-62-3 Molecular Formula: C2H2ClNaO2 Molecular Weight (g/mol): 116.476 MDL Number: MFCD00002684 InChI Key: FDRCDNZGSXJAFP-UHFFFAOYSA-M Synonym: sodium chloroacetate,chloroacetic acid sodium salt,monoxone,acetic acid, chloro-, sodium salt,dow defoliant,sodium monochloroacetate,smca,sodium monochloracetate,caswell no. 755a,chloroctan sodny czech PubChem CID: 23665759 IUPAC Name: sodium;2-chloroacetate SMILES: C(C(=O)[O-])Cl.[Na+]

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PubChem CID	23665759
CAS	3926-62-3
Molecular Weight (g/mol)	116.476
MDL Number	MFCD00002684
SMILES	C(C(=O)[O-])Cl.[Na+]
Synonym	sodium chloroacetate,chloroacetic acid sodium salt,monoxone,acetic acid, chloro-, sodium salt,dow defoliant,sodium monochloroacetate,smca,sodium monochloracetate,caswell no. 755a,chloroctan sodny czech
IUPAC Name	sodium;2-chloroacetate
InChI Key	FDRCDNZGSXJAFP-UHFFFAOYSA-M
Molecular Formula	C2H2ClNaO2

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Iodoacetic acid, 97+%

CAS: 64-69-7 Molecular Formula: C2H3IO2 Molecular Weight (g/mol): 185.948 MDL Number: MFCD00002685 InChI Key: JDNTWHVOXJZDSN-UHFFFAOYSA-N Synonym: iodoacetic acid,acetic acid, iodo,iodoacetate,monoiodoacetic acid,monoiodoacetate,monoiodine acetate,iodoaceticacid,iodoethanoic acid,acetic acid, 2-iodo,kyselina jodoctova PubChem CID: 5240 ChEBI: CHEBI:74571 IUPAC Name: 2-iodoacetic acid SMILES: C(C(=O)O)I

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Specifications

PubChem CID	5240
CAS	64-69-7
Molecular Weight (g/mol)	185.948
ChEBI	CHEBI:74571
MDL Number	MFCD00002685
SMILES	C(C(=O)O)I
Synonym	iodoacetic acid,acetic acid, iodo,iodoacetate,monoiodoacetic acid,monoiodoacetate,monoiodine acetate,iodoaceticacid,iodoethanoic acid,acetic acid, 2-iodo,kyselina jodoctova
IUPAC Name	2-iodoacetic acid
InChI Key	JDNTWHVOXJZDSN-UHFFFAOYSA-N
Molecular Formula	C2H3IO2

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2-Bromoisobutyric acid, 98%

CAS: 2052-01-9 Molecular Formula: C4H7BrO2 Molecular Weight (g/mol): 167.00 MDL Number: MFCD00004168 InChI Key: XXSPGBOGLXKMDU-UHFFFAOYSA-N Synonym: 2-bromoisobutyric acid,2-bromo-2-methylpropionic acid,isobromobutyric acid,propanoic acid, 2-bromo-2-methyl,alpha-bromoisobutyric acid,.alpha.-bromoisobutyric acid,2-bromo-2-methyl-propanoic acid,propionic acid, 2-bromo-2-methyl,unii-821p2r6b0a,ccris 9046 PubChem CID: 74924 IUPAC Name: 2-bromo-2-methylpropanoic acid SMILES: CC(C)(C(=O)O)Br

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Specifications

PubChem CID	74924
CAS	2052-01-9
Molecular Weight (g/mol)	167.00
MDL Number	MFCD00004168
SMILES	CC(C)(C(=O)O)Br
Synonym	2-bromoisobutyric acid,2-bromo-2-methylpropionic acid,isobromobutyric acid,propanoic acid, 2-bromo-2-methyl,alpha-bromoisobutyric acid,.alpha.-bromoisobutyric acid,2-bromo-2-methyl-propanoic acid,propionic acid, 2-bromo-2-methyl,unii-821p2r6b0a,ccris 9046
IUPAC Name	2-bromo-2-methylpropanoic acid
InChI Key	XXSPGBOGLXKMDU-UHFFFAOYSA-N
Molecular Formula	C4H7BrO2

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Ethyl bromoacetate, 98%

CAS: 105-36-2 Molecular Formula: C4H7BrO2 Molecular Weight (g/mol): 167.002 MDL Number: MFCD00000191 InChI Key: PQJJJMRNHATNKG-UHFFFAOYSA-N Synonym: ethyl bromoacetate,antol,ethyl bromacetate,bromoacetic acid ethyl ester,ethyl monobromoacetate,acetic acid, bromo-, ethyl ester,ethoxycarbonylmethyl bromide,bromoacetic acid, ethyl ester,ethyl alpha-bromoacetate,ethyl bromo acetate PubChem CID: 7748 IUPAC Name: ethyl 2-bromoacetate SMILES: CCOC(=O)CBr

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PubChem CID	7748
CAS	105-36-2
Molecular Weight (g/mol)	167.002
MDL Number	MFCD00000191
SMILES	CCOC(=O)CBr
Synonym	ethyl bromoacetate,antol,ethyl bromacetate,bromoacetic acid ethyl ester,ethyl monobromoacetate,acetic acid, bromo-, ethyl ester,ethoxycarbonylmethyl bromide,bromoacetic acid, ethyl ester,ethyl alpha-bromoacetate,ethyl bromo acetate
IUPAC Name	ethyl 2-bromoacetate
InChI Key	PQJJJMRNHATNKG-UHFFFAOYSA-N
Molecular Formula	C4H7BrO2

Dichloroacetic Acid 98.0+%, TCI America™

CAS: 79-43-6 Molecular Formula: C2H2Cl2O2 Molecular Weight (g/mol): 128.936 MDL Number: MFCD00004223 InChI Key: JXTHNDFMNIQAHM-UHFFFAOYSA-N Synonym: dichloroacetic acid,dichloracetic acid,dichloroethanoic acid,acetic acid, dichloro,urner's liquid,dichlorethanoic acid,bichloracetic acid,dca acid,bichloroacetic acid,dichloro-acetic acid PubChem CID: 6597 ChEBI: CHEBI:36386 IUPAC Name: 2,2-dichloroacetic acid SMILES: C(C(=O)O)(Cl)Cl

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Specifications

PubChem CID	6597
CAS	79-43-6
Molecular Weight (g/mol)	128.936
ChEBI	CHEBI:36386
MDL Number	MFCD00004223
SMILES	C(C(=O)O)(Cl)Cl
Synonym	dichloroacetic acid,dichloracetic acid,dichloroethanoic acid,acetic acid, dichloro,urner's liquid,dichlorethanoic acid,bichloracetic acid,dca acid,bichloroacetic acid,dichloro-acetic acid
IUPAC Name	2,2-dichloroacetic acid
InChI Key	JXTHNDFMNIQAHM-UHFFFAOYSA-N
Molecular Formula	C2H2Cl2O2

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Dimethyl bromomalonate, 90%, tech.

CAS: 868-26-8 Molecular Formula: C₅H₇BrO₄ Molecular Weight (g/mol): 211.02 MDL Number: MFCD00025865 InChI Key: NEMOJKROKMMQBQ-UHFFFAOYSA-N Synonym: dimethyl bromomalonate,dimethyl 2-bromomalonate,dimethylbromomalonate,propanedioic acid, bromo-, dimethyl ester,2-bromo dimethyl malonate,1,3-dimethyl 2-bromopropanedioate,dimethylbromomalo-nate,acmc-209qbk,dimethyl-2-bromomalonate,dimethyl 2-bromomalonate # PubChem CID: 70087 IUPAC Name: dimethyl 2-bromopropanedioate SMILES: COC(=O)C(C(=O)OC)Br

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PubChem CID	70087
CAS	868-26-8
Molecular Weight (g/mol)	211.02
MDL Number	MFCD00025865
SMILES	COC(=O)C(C(=O)OC)Br
Synonym	dimethyl bromomalonate,dimethyl 2-bromomalonate,dimethylbromomalonate,propanedioic acid, bromo-, dimethyl ester,2-bromo dimethyl malonate,1,3-dimethyl 2-bromopropanedioate,dimethylbromomalo-nate,acmc-209qbk,dimethyl-2-bromomalonate,dimethyl 2-bromomalonate #
IUPAC Name	dimethyl 2-bromopropanedioate
InChI Key	NEMOJKROKMMQBQ-UHFFFAOYSA-N
Molecular Formula	C₅H₇BrO₄

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2-Chloro-2-ethoxyacetic acid ethyl ester, 90%, remainder mainly ethyl diethoxyacetat, Thermo Scientific Chemicals

CAS: 34006-60-5 Molecular Formula: C6H11ClO3 Molecular Weight (g/mol): 166.60 MDL Number: MFCD00043953 InChI Key: WDCHMODANTVRTF-UHFFFAOYNA-N Synonym: 2-chloro-2-ethoxyacetic acid ethyl ester,ethyl 2-chloro-2-ethoxy-acetate,ethyl2-chloro-2-ethoxyacetate,ethyl chloro ethoxy acetate,chloro ethoxy acetic acid ethyl ester,ethyl alpha-chloro-alpha-ethoxyacetate,ethyl alpha-chloro-alpha-ethoxy-acetate,2-chloro-2-ethoxy-acetic acid ethyl ester,acetic acid,2-chloro-2-ethoxy-, ethyl ester PubChem CID: 2724873 IUPAC Name: ethyl 2-(1-chloroethoxy)acetate SMILES: CCOC(=O)COC(C)Cl

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PubChem CID	2724873
CAS	34006-60-5
Molecular Weight (g/mol)	166.60
MDL Number	MFCD00043953
SMILES	CCOC(=O)COC(C)Cl
Synonym	2-chloro-2-ethoxyacetic acid ethyl ester,ethyl 2-chloro-2-ethoxy-acetate,ethyl2-chloro-2-ethoxyacetate,ethyl chloro ethoxy acetate,chloro ethoxy acetic acid ethyl ester,ethyl alpha-chloro-alpha-ethoxyacetate,ethyl alpha-chloro-alpha-ethoxy-acetate,2-chloro-2-ethoxy-acetic acid ethyl ester,acetic acid,2-chloro-2-ethoxy-, ethyl ester
IUPAC Name	ethyl 2-(1-chloroethoxy)acetate
InChI Key	WDCHMODANTVRTF-UHFFFAOYNA-N
Molecular Formula	C6H11ClO3

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tert-Butyl chloroacetate, 98%

CAS: 107-59-5 Molecular Formula: C6H11ClO2 Molecular Weight (g/mol): 150.602 MDL Number: MFCD00000930 InChI Key: KUYMVWXKHQSIAS-UHFFFAOYSA-N Synonym: tert-butyl chloroacetate,chloroacetic acid tert-butyl ester,acetic acid, chloro-, 1,1-dimethylethyl ester,t-butyl chloroacetate,tert-butylchloroacetate,acetic acid, chloro-, tert-butyl ester,chloroacetic acid t-butyl ester,acetic acid, 2-chloro-, 1,1-dimethylethyl ester,t-butylchloroacetate,t-butyl-chloroacetate PubChem CID: 66052 IUPAC Name: tert-butyl 2-chloroacetate SMILES: CC(C)(C)OC(=O)CCl

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Specifications

PubChem CID	66052
CAS	107-59-5
Molecular Weight (g/mol)	150.602
MDL Number	MFCD00000930
SMILES	CC(C)(C)OC(=O)CCl
Synonym	tert-butyl chloroacetate,chloroacetic acid tert-butyl ester,acetic acid, chloro-, 1,1-dimethylethyl ester,t-butyl chloroacetate,tert-butylchloroacetate,acetic acid, chloro-, tert-butyl ester,chloroacetic acid t-butyl ester,acetic acid, 2-chloro-, 1,1-dimethylethyl ester,t-butylchloroacetate,t-butyl-chloroacetate
IUPAC Name	tert-butyl 2-chloroacetate
InChI Key	KUYMVWXKHQSIAS-UHFFFAOYSA-N
Molecular Formula	C6H11ClO2

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Ethyl 2-bromoisobutyrate, 98%

CAS: 600-00-0 Molecular Formula: C6H11BrO2 Molecular Weight (g/mol): 195.06 MDL Number: MFCD00000123 InChI Key: IOLQWGVDEFWYNP-UHFFFAOYSA-N Synonym: ethyl 2-bromoisobutyrate,ethyl 2-bromo-2-methylpropionate,ethyl alpha-bromoisobutyrate,ethyl .alpha.-bromoisobutyrate,propanoic acid, 2-bromo-2-methyl-, ethyl ester,2-bromo-2-methylpropanoic acid, ethyl ester,ethyl-2-bromoisobutyrate,propanoic acid, bromo-2-methyl-, ethyl ester,ethyl 2-bromo-2-methyl-propanoate,propionic acid, 2-bromo-2-methyl-, ethyl ester PubChem CID: 11745 IUPAC Name: ethyl 2-bromo-2-methylpropanoate SMILES: CCOC(=O)C(C)(C)Br

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PubChem CID	11745
CAS	600-00-0
Molecular Weight (g/mol)	195.06
MDL Number	MFCD00000123
SMILES	CCOC(=O)C(C)(C)Br
Synonym	ethyl 2-bromoisobutyrate,ethyl 2-bromo-2-methylpropionate,ethyl alpha-bromoisobutyrate,ethyl .alpha.-bromoisobutyrate,propanoic acid, 2-bromo-2-methyl-, ethyl ester,2-bromo-2-methylpropanoic acid, ethyl ester,ethyl-2-bromoisobutyrate,propanoic acid, bromo-2-methyl-, ethyl ester,ethyl 2-bromo-2-methyl-propanoate,propionic acid, 2-bromo-2-methyl-, ethyl ester
IUPAC Name	ethyl 2-bromo-2-methylpropanoate
InChI Key	IOLQWGVDEFWYNP-UHFFFAOYSA-N
Molecular Formula	C6H11BrO2

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2-Fluoropropionic acid, 96%, Thermo Scientific Chemicals

CAS: 6087-13-4 Molecular Formula: C3H5FO2 Molecular Weight (g/mol): 92.069 MDL Number: MFCD06247714 InChI Key: ZVZPFTCEXIGSHM-UHFFFAOYSA-N Synonym: 2-fluoropropionic acid,2-fluoro-propionic acid,propanoic acid, 2-fluoro,pubchem13698,propanoic acid,2-fluoro,acmc-1b20x,ksc492i2p PubChem CID: 256876 IUPAC Name: 2-fluoropropanoic acid SMILES: CC(C(=O)O)F

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Specifications

PubChem CID	256876
CAS	6087-13-4
Molecular Weight (g/mol)	92.069
MDL Number	MFCD06247714
SMILES	CC(C(=O)O)F
Synonym	2-fluoropropionic acid,2-fluoro-propionic acid,propanoic acid, 2-fluoro,pubchem13698,propanoic acid,2-fluoro,acmc-1b20x,ksc492i2p
IUPAC Name	2-fluoropropanoic acid
InChI Key	ZVZPFTCEXIGSHM-UHFFFAOYSA-N
Molecular Formula	C3H5FO2

Alpha-halocarboxylic acids and derivatives

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