Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.

6,031 – 6,045 of 74,565 results

6,031

3-Fluoro-4-methoxyaniline, 99%

CAS: 366-99-4 Molecular Formula: C₇H₈FNO Molecular Weight (g/mol): 141.15 MDL Number: MFCD00075040 InChI Key: LJWAPDSCYTZUJU-UHFFFAOYSA-N Synonym: 3-fluoro-4-anisidine,4-amino-2-fluoroanisole,3-fluoro-p-anisidine,3-fluoro-4-methoxy-phenylamine,benzenamine, 3-fluoro-4-methoxy,3-fluoro-4-methoxy-aniline,3-fluoro-4-methoxyphenylamine,2-fluoro-4-aminoanisole,3-fluoro-4-methoxy-anilin,3-fluoro-4-methoxy-benzenamine PubChem CID: 581110 IUPAC Name: 3-fluoro-4-methoxyaniline SMILES: COC1=C(C=C(C=C1)N)F

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Specifications

PubChem CID	581110
CAS	366-99-4
Molecular Weight (g/mol)	141.15
MDL Number	MFCD00075040
SMILES	COC1=C(C=C(C=C1)N)F
Synonym	3-fluoro-4-anisidine,4-amino-2-fluoroanisole,3-fluoro-p-anisidine,3-fluoro-4-methoxy-phenylamine,benzenamine, 3-fluoro-4-methoxy,3-fluoro-4-methoxy-aniline,3-fluoro-4-methoxyphenylamine,2-fluoro-4-aminoanisole,3-fluoro-4-methoxy-anilin,3-fluoro-4-methoxy-benzenamine
IUPAC Name	3-fluoro-4-methoxyaniline
InChI Key	LJWAPDSCYTZUJU-UHFFFAOYSA-N
Molecular Formula	C₇H₈FNO

6,032

2-Fluorobenzotrifluoride, 99%

CAS: 392-85-8 Molecular Formula: C7H4F4 Molecular Weight (g/mol): 164.103 MDL Number: MFCD00000374 InChI Key: BGVGHYOIWIALFF-UHFFFAOYSA-N Synonym: 2-fluorobenzotrifluoride,1-fluoro-2-trifluoromethyl benzene,o-fluorobenzotrifluoride,benzene, 1-fluoro-2-trifluoromethyl,alpha,alpha,alpha,2-tetrafluorotoluene,benzene, fluoro trifluoromethyl,o,alpha,alpha,alpha-tetrafluorotoluene,a,a,a,2-tetrafluorotoluene,alpha,alpha,alpha,ar-tetrafluorotoluene,2-trifluoromethyl fluorobenzene PubChem CID: 9807 IUPAC Name: 1-fluoro-2-(trifluoromethyl)benzene SMILES: C1=CC=C(C(=C1)C(F)(F)F)F

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Specifications

PubChem CID	9807
CAS	392-85-8
Molecular Weight (g/mol)	164.103
MDL Number	MFCD00000374
SMILES	C1=CC=C(C(=C1)C(F)(F)F)F
Synonym	2-fluorobenzotrifluoride,1-fluoro-2-trifluoromethyl benzene,o-fluorobenzotrifluoride,benzene, 1-fluoro-2-trifluoromethyl,alpha,alpha,alpha,2-tetrafluorotoluene,benzene, fluoro trifluoromethyl,o,alpha,alpha,alpha-tetrafluorotoluene,a,a,a,2-tetrafluorotoluene,alpha,alpha,alpha,ar-tetrafluorotoluene,2-trifluoromethyl fluorobenzene
IUPAC Name	1-fluoro-2-(trifluoromethyl)benzene
InChI Key	BGVGHYOIWIALFF-UHFFFAOYSA-N
Molecular Formula	C7H4F4

6,033

2,6-Difluorobenzaldehyde, 97%

CAS: 437-81-0 Molecular Formula: C7H4F2O Molecular Weight (g/mol): 142.105 MDL Number: MFCD00010293 InChI Key: SOWRUJSGHKNOKN-UHFFFAOYSA-N Synonym: 2,6-difluoro benzaldehyde,2,6-dfad,benzaldehyde, 2,6-difluoro,2,6-difluorobenzaledehyde,pubchem1438,2,6-difluorbenzaldehyde,2,6 difluorobenzaldehyde,acmc-1adi4,2, 6-difluorobenzaldehyde,2,6-difluoro-benzaldehyde PubChem CID: 136284 IUPAC Name: 2,6-difluorobenzaldehyde SMILES: C1=CC(=C(C(=C1)F)C=O)F

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Specifications

PubChem CID	136284
CAS	437-81-0
Molecular Weight (g/mol)	142.105
MDL Number	MFCD00010293
SMILES	C1=CC(=C(C(=C1)F)C=O)F
Synonym	2,6-difluoro benzaldehyde,2,6-dfad,benzaldehyde, 2,6-difluoro,2,6-difluorobenzaledehyde,pubchem1438,2,6-difluorbenzaldehyde,2,6 difluorobenzaldehyde,acmc-1adi4,2, 6-difluorobenzaldehyde,2,6-difluoro-benzaldehyde
IUPAC Name	2,6-difluorobenzaldehyde
InChI Key	SOWRUJSGHKNOKN-UHFFFAOYSA-N
Molecular Formula	C7H4F2O

6,034

3-Methoxybenzenesulfonamide, 97%, Thermo Scientific Chemicals

CAS: 58734-57-9 Molecular Formula: C7H9NO3S Molecular Weight (g/mol): 187.21 MDL Number: MFCD08704579 InChI Key: VBKIEQKVSHDVGH-UHFFFAOYSA-N PubChem CID: 14763060 IUPAC Name: 3-methoxybenzenesulfonamide SMILES: COC1=CC(=CC=C1)S(N)(=O)=O

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Specifications

PubChem CID	14763060
CAS	58734-57-9
Molecular Weight (g/mol)	187.21
MDL Number	MFCD08704579
SMILES	COC1=CC(=CC=C1)S(N)(=O)=O
IUPAC Name	3-methoxybenzenesulfonamide
InChI Key	VBKIEQKVSHDVGH-UHFFFAOYSA-N
Molecular Formula	C7H9NO3S

6,035

1-(4-Bromophenyl)hexane, 97%, Thermo Scientific™

CAS: 23703-22-2 Molecular Formula: C12H17Br Molecular Weight (g/mol): 241.17 MDL Number: MFCD00061114 InChI Key: MXHOLIARBWJKCR-UHFFFAOYSA-N Synonym: 1-4-bromophenyl hexane,4-hexylbromobenzene,1-bromo-4-n-hexylbenzene,4-bromo-1-hexylbenzene,benzene, 1-bromo-4-hexyl,4-bromo-n-hexylbenzene,4-hexylphenyl bromide,1-bromo-4-hexyl-benzene,acmc-1cb1g,# PubChem CID: 598186 IUPAC Name: 1-bromo-4-hexylbenzene SMILES: CCCCCCC1=CC=C(Br)C=C1

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Specifications

PubChem CID	598186
CAS	23703-22-2
Molecular Weight (g/mol)	241.17
MDL Number	MFCD00061114
SMILES	CCCCCCC1=CC=C(Br)C=C1
Synonym	1-4-bromophenyl hexane,4-hexylbromobenzene,1-bromo-4-n-hexylbenzene,4-bromo-1-hexylbenzene,benzene, 1-bromo-4-hexyl,4-bromo-n-hexylbenzene,4-hexylphenyl bromide,1-bromo-4-hexyl-benzene,acmc-1cb1g,#
IUPAC Name	1-bromo-4-hexylbenzene
InChI Key	MXHOLIARBWJKCR-UHFFFAOYSA-N
Molecular Formula	C12H17Br

6,036

alpha-Bromo-2,6-difluorotoluene, 97%

CAS: 85118-00-9 Molecular Formula: C7H5BrF2 Molecular Weight (g/mol): 207.02 MDL Number: MFCD00000329 InChI Key: LSXJPJGBWSZHTM-UHFFFAOYSA-N Synonym: 2,6-difluorobenzyl bromide,2-bromomethyl-1,3-difluorobenzene,2,6-difluorobenzylbromide,alpha-bromo-2,6-difluorotoluene,benzene, 2-bromomethyl-1,3-difluoro,timtec-bb sbb006564,2-bromomethyl-1,3-difluoro-benzene,fr cf b1e,pubchem4915,acmc-209q4j PubChem CID: 581435 IUPAC Name: 2-(bromomethyl)-1,3-difluorobenzene SMILES: FC1=CC=CC(F)=C1CBr

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Specifications

PubChem CID	581435
CAS	85118-00-9
Molecular Weight (g/mol)	207.02
MDL Number	MFCD00000329
SMILES	FC1=CC=CC(F)=C1CBr
Synonym	2,6-difluorobenzyl bromide,2-bromomethyl-1,3-difluorobenzene,2,6-difluorobenzylbromide,alpha-bromo-2,6-difluorotoluene,benzene, 2-bromomethyl-1,3-difluoro,timtec-bb sbb006564,2-bromomethyl-1,3-difluoro-benzene,fr cf b1e,pubchem4915,acmc-209q4j
IUPAC Name	2-(bromomethyl)-1,3-difluorobenzene
InChI Key	LSXJPJGBWSZHTM-UHFFFAOYSA-N
Molecular Formula	C7H5BrF2

6,037

1-Bromo-4-n-hexyloxybenzene, 97%, Thermo Scientific Chemicals

CAS: 30752-19-3 Molecular Formula: C12H17BrO Molecular Weight (g/mol): 257.171 MDL Number: MFCD00173753 InChI Key: GKLMJONYGGTHHM-UHFFFAOYSA-N Synonym: 1-bromo-4-hexyloxy benzene,1-bromo-4-hexyloxybenzene,1-4-bromophenoxy hexane,1-bromo-4-n-hexyloxybenzene,4-n-hexyloxybromobenzene,p-bromophenylhexyl ether,benzene, 1-bromo-4-hexyloxy,p-hexyloxybromobenzene,4-hexyloxybromobenzene,4-bromophenyl hexyl ether PubChem CID: 520492 IUPAC Name: 1-bromo-4-hexoxybenzene SMILES: CCCCCCOC1=CC=C(C=C1)Br

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Specifications

PubChem CID	520492
CAS	30752-19-3
Molecular Weight (g/mol)	257.171
MDL Number	MFCD00173753
SMILES	CCCCCCOC1=CC=C(C=C1)Br
Synonym	1-bromo-4-hexyloxy benzene,1-bromo-4-hexyloxybenzene,1-4-bromophenoxy hexane,1-bromo-4-n-hexyloxybenzene,4-n-hexyloxybromobenzene,p-bromophenylhexyl ether,benzene, 1-bromo-4-hexyloxy,p-hexyloxybromobenzene,4-hexyloxybromobenzene,4-bromophenyl hexyl ether
IUPAC Name	1-bromo-4-hexoxybenzene
InChI Key	GKLMJONYGGTHHM-UHFFFAOYSA-N
Molecular Formula	C12H17BrO

6,038

4-Biphenylmethanol, 98+%

CAS: 3597-91-9 Molecular Formula: C13H12O Molecular Weight (g/mol): 184.238 MDL Number: MFCD00004660 InChI Key: AXCHZLOJGKSWLV-UHFFFAOYSA-N Synonym: 4-biphenylmethanol,4-phenylphenyl methanol,biphenyl-4-ylmethanol,4-phenylbenzyl alcohol,p-phenylbenzyl alcohol,4-hydroxymethylbiphenyl,1,1'-biphenyl-4-ylmethanol,biphenyl-4-methanol,4-hydroxymethyl biphenyl,4hmb PubChem CID: 19186 IUPAC Name: (4-phenylphenyl)methanol SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CO

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Specifications

PubChem CID	19186
CAS	3597-91-9
Molecular Weight (g/mol)	184.238
MDL Number	MFCD00004660
SMILES	C1=CC=C(C=C1)C2=CC=C(C=C2)CO
Synonym	4-biphenylmethanol,4-phenylphenyl methanol,biphenyl-4-ylmethanol,4-phenylbenzyl alcohol,p-phenylbenzyl alcohol,4-hydroxymethylbiphenyl,1,1'-biphenyl-4-ylmethanol,biphenyl-4-methanol,4-hydroxymethyl biphenyl,4hmb
IUPAC Name	(4-phenylphenyl)methanol
InChI Key	AXCHZLOJGKSWLV-UHFFFAOYSA-N
Molecular Formula	C13H12O

6,039

Cumene, 98%, pure

CAS: 98-82-8 MDL Number: MFCD00008881 InChI Key: RWGFKTVRMDUZSP-UHFFFAOYSA-N Synonym: isopropylbenzene,2-phenylpropane,cumol,benzene, 1-methylethyl,1-methylethyl benzene,isopropylbenzol,cumeen,isopropilbenzene,isopropylbenzeen,2-fenilpropano PubChem CID: 7406 ChEBI: CHEBI:34656 IUPAC Name: cumene SMILES: CC(C)C1=CC=CC=C1

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Specifications

PubChem CID	7406
CAS	98-82-8
ChEBI	CHEBI:34656
MDL Number	MFCD00008881
SMILES	CC(C)C1=CC=CC=C1
Synonym	isopropylbenzene,2-phenylpropane,cumol,benzene, 1-methylethyl,1-methylethyl benzene,isopropylbenzol,cumeen,isopropilbenzene,isopropylbenzeen,2-fenilpropano
IUPAC Name	cumene
InChI Key	RWGFKTVRMDUZSP-UHFFFAOYSA-N

6,040

(S)-N-FMOC-α-Methylvaline, 98%, 98% ee, Thermo Scientific Chemicals

CAS: 169566-81-8 Molecular Formula: C21H23NO4 Molecular Weight (g/mol): 353.42 MDL Number: MFCD08752490 InChI Key: AWEZXIRZNQCCNN-NRFANRHFSA-N Synonym: s-2-9h-fluoren-9-yl methoxy carbonyl amino-2,3-dimethylbutanoic acid,2s-2-9h-fluoren-9-ylmethoxy carbonyl amino-2,3-dimethylbutanoic acid,fmoc-me-val-oh,fmoc-a-me-val-oh,fmoc-s-alpha-methylvaline,s-2-fmoc-amino-2,3-dimethylbutanoic acid,l-valine,n-9h-fluoren-9-ylmethoxy carbonyl-2-methyl,n-9h-fluoren-9-ylmethoxy carbonyl-3-methyl-d-isovaline,2s-2-9h-fluoren-9-ylmethoxycarbonylamino-2,3-dimethylbutanoic acid,s-2-9h-fluoren-9-yl methoxy carbonylamino-2,3-dimethylbutanoic acid PubChem CID: 11394064 SMILES: CC(C)C(C)(NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)C(O)=O

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Specifications

PubChem CID	11394064
CAS	169566-81-8
Molecular Weight (g/mol)	353.42
MDL Number	MFCD08752490
SMILES	CC(C)C(C)(NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)C(O)=O
Synonym	s-2-9h-fluoren-9-yl methoxy carbonyl amino-2,3-dimethylbutanoic acid,2s-2-9h-fluoren-9-ylmethoxy carbonyl amino-2,3-dimethylbutanoic acid,fmoc-me-val-oh,fmoc-a-me-val-oh,fmoc-s-alpha-methylvaline,s-2-fmoc-amino-2,3-dimethylbutanoic acid,l-valine,n-9h-fluoren-9-ylmethoxy carbonyl-2-methyl,n-9h-fluoren-9-ylmethoxy carbonyl-3-methyl-d-isovaline,2s-2-9h-fluoren-9-ylmethoxycarbonylamino-2,3-dimethylbutanoic acid,s-2-9h-fluoren-9-yl methoxy carbonylamino-2,3-dimethylbutanoic acid
InChI Key	AWEZXIRZNQCCNN-NRFANRHFSA-N
Molecular Formula	C21H23NO4

6,041

1-Naphthoic hydrazide, 98+%

CAS: 43038-45-5 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.214 MDL Number: MFCD00016804 InChI Key: VMFUMDXVTKTZQY-UHFFFAOYSA-N Synonym: 1-naphthohydrazide,1-naphthhydrazide,1-naphthalenecarbohydrazide,1-naphthalenecarboxylic acid, hydrazide,1-naphthoic hydrazide,.alpha.-naphthoylhydrazine,naphthalene-1-carboxylic acid hydrazide,naphthalenecarbohydrazide,a-naphthoylhydrazine,1-naphthohydrazide # PubChem CID: 72689 IUPAC Name: naphthalene-1-carbohydrazide SMILES: C1=CC=C2C(=C1)C=CC=C2C(=O)NN

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Specifications

PubChem CID	72689
CAS	43038-45-5
Molecular Weight (g/mol)	186.214
MDL Number	MFCD00016804
SMILES	C1=CC=C2C(=C1)C=CC=C2C(=O)NN
Synonym	1-naphthohydrazide,1-naphthhydrazide,1-naphthalenecarbohydrazide,1-naphthalenecarboxylic acid, hydrazide,1-naphthoic hydrazide,.alpha.-naphthoylhydrazine,naphthalene-1-carboxylic acid hydrazide,naphthalenecarbohydrazide,a-naphthoylhydrazine,1-naphthohydrazide #
IUPAC Name	naphthalene-1-carbohydrazide
InChI Key	VMFUMDXVTKTZQY-UHFFFAOYSA-N
Molecular Formula	C11H10N2O

6,042

3,4-Dichlorobenzylamine, 98%

CAS: 102-49-8 Molecular Formula: C₇H₇Cl₂N Molecular Weight (g/mol): 176.05 MDL Number: MFCD00008114 InChI Key: IXHNFOOSLAWRBQ-UHFFFAOYSA-N Synonym: 3,4-dichlorobenzylamine,3,4-dichlorophenyl methanamine,benzenemethanamine, 3,4-dichloro,3,4-dichloro-benzylamine,benzylamine, 3,4-dichloro,3,4-dichlorophenyl methylamine,1-3,4-dichlorophenyl methanamine,3,4-dichlorophenyl methyl amine,3,4-dichlorobezylamine PubChem CID: 1608 IUPAC Name: (3,4-dichlorophenyl)methanamine SMILES: C1=CC(=C(C=C1CN)Cl)Cl

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Specifications

PubChem CID	1608
CAS	102-49-8
Molecular Weight (g/mol)	176.05
MDL Number	MFCD00008114
SMILES	C1=CC(=C(C=C1CN)Cl)Cl
Synonym	3,4-dichlorobenzylamine,3,4-dichlorophenyl methanamine,benzenemethanamine, 3,4-dichloro,3,4-dichloro-benzylamine,benzylamine, 3,4-dichloro,3,4-dichlorophenyl methylamine,1-3,4-dichlorophenyl methanamine,3,4-dichlorophenyl methyl amine,3,4-dichlorobezylamine
IUPAC Name	(3,4-dichlorophenyl)methanamine
InChI Key	IXHNFOOSLAWRBQ-UHFFFAOYSA-N
Molecular Formula	C₇H₇Cl₂N

6,043

4-Bromo-o-phenylenediamine, 97%

CAS: 1575-37-7 Molecular Formula: C6H7BrN2 Molecular Weight (g/mol): 187.04 MDL Number: MFCD02660622 InChI Key: WIHHVKUARKTSBU-UHFFFAOYSA-N Synonym: 4-bromo-1,2-benzenediamine,4-bromo-1,2-diaminobenzene,4-bromo-o-phenylenediamine,1,2-diamino-4-bromobenzene,2-amino-4-bromoaniline,4-bromo-1,2-phenylenediamine,4-bromo-2-aminoaniline,1,2-benzenediamine, 4-bromo,2-amino-4-bromophenylamine,4-bromophenylene-1,2-diamine PubChem CID: 323593 IUPAC Name: 4-bromobenzene-1,2-diamine SMILES: NC1=CC=C(Br)C=C1N

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Specifications

PubChem CID	323593
CAS	1575-37-7
Molecular Weight (g/mol)	187.04
MDL Number	MFCD02660622
SMILES	NC1=CC=C(Br)C=C1N
Synonym	4-bromo-1,2-benzenediamine,4-bromo-1,2-diaminobenzene,4-bromo-o-phenylenediamine,1,2-diamino-4-bromobenzene,2-amino-4-bromoaniline,4-bromo-1,2-phenylenediamine,4-bromo-2-aminoaniline,1,2-benzenediamine, 4-bromo,2-amino-4-bromophenylamine,4-bromophenylene-1,2-diamine
IUPAC Name	4-bromobenzene-1,2-diamine
InChI Key	WIHHVKUARKTSBU-UHFFFAOYSA-N
Molecular Formula	C6H7BrN2

6,044

3-Hydroxybenzophenone, 98+%

CAS: 13020-57-0 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.221 MDL Number: MFCD00002297 InChI Key: SHULEACXTONYPS-UHFFFAOYSA-N Synonym: 3-hydroxybenzophenone,3-hydroxyphenyl phenyl methanone,m-hydroxybenzophenone,methanone, 3-hydroxyphenyl phenyl,3-hydroxy-benzophenon,dsstox_cid_27856,dsstox_rid_82609,dsstox_gsid_47880,3-hydroxyphenyl phenyl ketone PubChem CID: 83050 IUPAC Name: (3-hydroxyphenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)O

Pricing & Availability
Specifications

PubChem CID	83050
CAS	13020-57-0
Molecular Weight (g/mol)	198.221
MDL Number	MFCD00002297
SMILES	C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)O
Synonym	3-hydroxybenzophenone,3-hydroxyphenyl phenyl methanone,m-hydroxybenzophenone,methanone, 3-hydroxyphenyl phenyl,3-hydroxy-benzophenon,dsstox_cid_27856,dsstox_rid_82609,dsstox_gsid_47880,3-hydroxyphenyl phenyl ketone
IUPAC Name	(3-hydroxyphenyl)-phenylmethanone
InChI Key	SHULEACXTONYPS-UHFFFAOYSA-N
Molecular Formula	C13H10O2

6,045

4-Phenoxyphenyl isocyanate, 98%

CAS: 59377-19-4 Molecular Formula: C13H9NO2 Molecular Weight (g/mol): 211.22 MDL Number: MFCD00013876 InChI Key: PNBUGOFIKAHZRW-UHFFFAOYSA-N Synonym: 4-phenoxyphenyl isocyanate,4-phenoxyphenylisocyanate,1-isocyanato-4-phenoxy-benzene,benzene, 1-isocyanato-4-phenoxy,acmc-20ambk,pubchem17221,p-phenoxyphenylisocyanate,4-phenoxybenzenisocyanate,4-phenoxyphenyl-isocyanate,4-isocyanatodiphenyl ether PubChem CID: 2734896 IUPAC Name: 1-isocyanato-4-phenoxybenzene SMILES: O=C=NC1=CC=C(OC2=CC=CC=C2)C=C1

Pricing & Availability
Specifications

PubChem CID	2734896
CAS	59377-19-4
Molecular Weight (g/mol)	211.22
MDL Number	MFCD00013876
SMILES	O=C=NC1=CC=C(OC2=CC=CC=C2)C=C1
Synonym	4-phenoxyphenyl isocyanate,4-phenoxyphenylisocyanate,1-isocyanato-4-phenoxy-benzene,benzene, 1-isocyanato-4-phenoxy,acmc-20ambk,pubchem17221,p-phenoxyphenylisocyanate,4-phenoxybenzenisocyanate,4-phenoxyphenyl-isocyanate,4-isocyanatodiphenyl ether
IUPAC Name	1-isocyanato-4-phenoxybenzene
InChI Key	PNBUGOFIKAHZRW-UHFFFAOYSA-N
Molecular Formula	C13H9NO2

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