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.

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7,111 – 7,125 of 159,118 results

7,111

Methyl 2-Bromo-4-nitrobenzoate 98.0+%, TCI America™

CAS: 100959-22-6 Molecular Formula: C8H6BrNO4 Molecular Weight (g/mol): 260.043 MDL Number: MFCD07779271 InChI Key: XYMZAFDNPJLOTP-UHFFFAOYSA-N Synonym: 2-Bromo-4-nitrobenzoic Acid Methyl Ester PubChem CID: 15833211 IUPAC Name: methyl 2-bromo-4-nitrobenzoate SMILES: COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Br

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Specifications

PubChem CID	15833211
CAS	100959-22-6
Molecular Weight (g/mol)	260.043
MDL Number	MFCD07779271
SMILES	COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Br
Synonym	2-Bromo-4-nitrobenzoic Acid Methyl Ester
IUPAC Name	methyl 2-bromo-4-nitrobenzoate
InChI Key	XYMZAFDNPJLOTP-UHFFFAOYSA-N
Molecular Formula	C8H6BrNO4

7,112

O-(4-Nitrobenzoyl)hydroxylamine 97.0+%, TCI America™

CAS: 35657-36-4 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.14 MDL Number: MFCD11976095 InChI Key: VTKRSTQMGNRMHL-UHFFFAOYSA-N PubChem CID: 426419 IUPAC Name: amino 4-nitrobenzoate SMILES: NOC(=O)C1=CC=C(C=C1)[N+]([O-])=O

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Specifications

PubChem CID	426419
CAS	35657-36-4
Molecular Weight (g/mol)	182.14
MDL Number	MFCD11976095
SMILES	NOC(=O)C1=CC=C(C=C1)[N+]([O-])=O
IUPAC Name	amino 4-nitrobenzoate
InChI Key	VTKRSTQMGNRMHL-UHFFFAOYSA-N
Molecular Formula	C7H6N2O4

7,113

Methyl 3,4-Dihydroxybenzoate 98.0+%, TCI America™

CAS: 2150-43-8 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00016437 InChI Key: CUFLZUDASVUNOE-UHFFFAOYSA-N Synonym: methyl protocatechuate,protocatechuic acid, methyl ester,3,4-dihydroxybenzoic acid methyl ester,protocatechuic acid methyl ester,benzoic acid, 3,4-dihydroxy-, methyl ester,3,4-dihydroxymethylbenzoate,3,4-dihydroxybenzoic acid methyl,mdhb,methyl 3,4-dihydroxy,acmc-1cfbz PubChem CID: 287064 IUPAC Name: methyl 3,4-dihydroxybenzoate SMILES: COC(=O)C1=CC=C(O)C(O)=C1

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Specifications

PubChem CID	287064
CAS	2150-43-8
Molecular Weight (g/mol)	168.15
MDL Number	MFCD00016437
SMILES	COC(=O)C1=CC=C(O)C(O)=C1
Synonym	methyl protocatechuate,protocatechuic acid, methyl ester,3,4-dihydroxybenzoic acid methyl ester,protocatechuic acid methyl ester,benzoic acid, 3,4-dihydroxy-, methyl ester,3,4-dihydroxymethylbenzoate,3,4-dihydroxybenzoic acid methyl,mdhb,methyl 3,4-dihydroxy,acmc-1cfbz
IUPAC Name	methyl 3,4-dihydroxybenzoate
InChI Key	CUFLZUDASVUNOE-UHFFFAOYSA-N
Molecular Formula	C8H8O4

7,114

Methyl 2,3-Dihydroxybenzoate 98.0+%, TCI America™

CAS: 2411-83-8 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.148 InChI Key: DOAJWTSNTNAEIY-UHFFFAOYSA-N Synonym: o-pyrocatechuic acid, methyl ester,methyl2,3-dihydroxybenzoate,2,3-dihydroxybenzoic acid methyl ester,benzoic acid, 2,3-dihydroxy-, methyl ester,2,3-dihydroxy-benzoic acid methyl ester,acmc-1ckr1,methyl 2,3-dihydroxy-benzoate,rarechem al bf 0035,2,3-dihydroxybenzoic acid methyl,dihydroxy benzoic acid methyl ester PubChem CID: 75484 IUPAC Name: methyl 2,3-dihydroxybenzoate SMILES: COC(=O)C1=C(C(=CC=C1)O)O

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Specifications

PubChem CID	75484
CAS	2411-83-8
Molecular Weight (g/mol)	168.148
SMILES	COC(=O)C1=C(C(=CC=C1)O)O
Synonym	o-pyrocatechuic acid, methyl ester,methyl2,3-dihydroxybenzoate,2,3-dihydroxybenzoic acid methyl ester,benzoic acid, 2,3-dihydroxy-, methyl ester,2,3-dihydroxy-benzoic acid methyl ester,acmc-1ckr1,methyl 2,3-dihydroxy-benzoate,rarechem al bf 0035,2,3-dihydroxybenzoic acid methyl,dihydroxy benzoic acid methyl ester
IUPAC Name	methyl 2,3-dihydroxybenzoate
InChI Key	DOAJWTSNTNAEIY-UHFFFAOYSA-N
Molecular Formula	C8H8O4

7,115

Ethyl 6-Methylsalicylate 98.0+%, TCI America™

CAS: 6555-40-4 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD01194299 InChI Key: KWXBNUYCDMPLEQ-UHFFFAOYSA-N Synonym: Ethyl 2-Hydroxy-6-methylbenzoate, 2-Hydroxy-6-methylbenzoic Acid Ethyl Ester, 6-Methylsalicylic Acid Ethyl Ester PubChem CID: 584222 IUPAC Name: ethyl 2-hydroxy-6-methylbenzoate SMILES: CCOC(=O)C1=C(C=CC=C1O)C

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Specifications

PubChem CID	584222
CAS	6555-40-4
Molecular Weight (g/mol)	180.203
MDL Number	MFCD01194299
SMILES	CCOC(=O)C1=C(C=CC=C1O)C
Synonym	Ethyl 2-Hydroxy-6-methylbenzoate, 2-Hydroxy-6-methylbenzoic Acid Ethyl Ester, 6-Methylsalicylic Acid Ethyl Ester
IUPAC Name	ethyl 2-hydroxy-6-methylbenzoate
InChI Key	KWXBNUYCDMPLEQ-UHFFFAOYSA-N
Molecular Formula	C10H12O3

7,116

2-Hydroxyethyl 4-Hydroxybenzoate 98.0+%, TCI America™

CAS: 2496-90-4 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00059079 InChI Key: GFHGEIJFEHZKHZ-UHFFFAOYSA-N Synonym: 4-Hydroxybenzoic Acid 2-Hydroxyethyl Ester, 2-Hydroxyethylparaben PubChem CID: 267950 IUPAC Name: 2-hydroxyethyl 4-hydroxybenzoate SMILES: OCCOC(=O)C1=CC=C(O)C=C1

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Specifications

PubChem CID	267950
CAS	2496-90-4
Molecular Weight (g/mol)	182.18
MDL Number	MFCD00059079
SMILES	OCCOC(=O)C1=CC=C(O)C=C1
Synonym	4-Hydroxybenzoic Acid 2-Hydroxyethyl Ester, 2-Hydroxyethylparaben
IUPAC Name	2-hydroxyethyl 4-hydroxybenzoate
InChI Key	GFHGEIJFEHZKHZ-UHFFFAOYSA-N
Molecular Formula	C9H10O4

7,117

Benzyl 4-Hydroxybenzoate 98.0+%, TCI America™

CAS: 94-18-8 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.25 MDL Number: MFCD00016471 InChI Key: MOZDKDIOPSPTBH-UHFFFAOYSA-N Synonym: benzylparaben,benzyl p-hydroxybenzoate,nipabenzyl,parosept,benzyl paraben,benzyl parasept,benzyl tegosept,solbrol z,benzyl-parasept,p-hydroxybenzoic acid benzyl ester PubChem CID: 7180 ChEBI: CHEBI:34571 IUPAC Name: benzyl 4-hydroxybenzoate SMILES: OC1=CC=C(C=C1)C(=O)OCC1=CC=CC=C1

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Specifications

PubChem CID	7180
CAS	94-18-8
Molecular Weight (g/mol)	228.25
ChEBI	CHEBI:34571
MDL Number	MFCD00016471
SMILES	OC1=CC=C(C=C1)C(=O)OCC1=CC=CC=C1
Synonym	benzylparaben,benzyl p-hydroxybenzoate,nipabenzyl,parosept,benzyl paraben,benzyl parasept,benzyl tegosept,solbrol z,benzyl-parasept,p-hydroxybenzoic acid benzyl ester
IUPAC Name	benzyl 4-hydroxybenzoate
InChI Key	MOZDKDIOPSPTBH-UHFFFAOYSA-N
Molecular Formula	C14H12O3

7,118

Isopropyl Salicylate 99.0+%, TCI America™

CAS: 607-85-2 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00035703 InChI Key: YEULQIJMIOWCHB-UHFFFAOYSA-N Synonym: isopropyl salicylate,isopropyl 2-hydroxybenzoate,salicylic acid, isopropyl ester,iso-propyl salicylate,salicylic acid isopropyl ester,isopropyl o-hydroxybenzoate,benzoic acid, 2-hydroxy-, 1-methylethyl ester,1-methylethyl 2-hydroxybenzoate,methylethyl 2-hydroxybenzoate,opropyl salicylate PubChem CID: 11838 ChEBI: CHEBI:38703 IUPAC Name: propan-2-yl 2-hydroxybenzoate SMILES: CC(C)OC(=O)C1=CC=CC=C1O

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Specifications

PubChem CID	11838
CAS	607-85-2
Molecular Weight (g/mol)	180.203
ChEBI	CHEBI:38703
MDL Number	MFCD00035703
SMILES	CC(C)OC(=O)C1=CC=CC=C1O
Synonym	isopropyl salicylate,isopropyl 2-hydroxybenzoate,salicylic acid, isopropyl ester,iso-propyl salicylate,salicylic acid isopropyl ester,isopropyl o-hydroxybenzoate,benzoic acid, 2-hydroxy-, 1-methylethyl ester,1-methylethyl 2-hydroxybenzoate,methylethyl 2-hydroxybenzoate,opropyl salicylate
IUPAC Name	propan-2-yl 2-hydroxybenzoate
InChI Key	YEULQIJMIOWCHB-UHFFFAOYSA-N
Molecular Formula	C10H12O3

7,119

Isopropyl 4-Hydroxybenzoate 99.0+%, TCI America™

CAS: 4191-73-5 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00016468 InChI Key: CMHMMKSPYOOVGI-UHFFFAOYSA-N Synonym: isopropyl 4-hydroxybenzoate,isopropylparaben,isopropyl p-hydroxybenzoate,isopropyl paraben,p-hydroxybenzoic acid isopropyl ester,isopropylhydroxybenzoate,unii-a6eox47qk0,p-oxybenzoesaureisopropylester,4-hydroxybenzoic acid isopropyl ester,benzoic acid, 4-hydroxy-, 1-methylethyl ester PubChem CID: 20161 IUPAC Name: propan-2-yl 4-hydroxybenzoate SMILES: CC(C)OC(=O)C1=CC=C(O)C=C1

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Specifications

PubChem CID	20161
CAS	4191-73-5
Molecular Weight (g/mol)	180.20
MDL Number	MFCD00016468
SMILES	CC(C)OC(=O)C1=CC=C(O)C=C1
Synonym	isopropyl 4-hydroxybenzoate,isopropylparaben,isopropyl p-hydroxybenzoate,isopropyl paraben,p-hydroxybenzoic acid isopropyl ester,isopropylhydroxybenzoate,unii-a6eox47qk0,p-oxybenzoesaureisopropylester,4-hydroxybenzoic acid isopropyl ester,benzoic acid, 4-hydroxy-, 1-methylethyl ester
IUPAC Name	propan-2-yl 4-hydroxybenzoate
InChI Key	CMHMMKSPYOOVGI-UHFFFAOYSA-N
Molecular Formula	C10H12O3

7,120

[NH2Me2][(RuCl((S)-segphos(regR)))2(mu-Cl)3], TCI America™

CAS: 488809-34-3 Molecular Formula: C78H67Cl5NO8P4Ru2+ Molecular Weight (g/mol): 1649.678 MDL Number: MFCD09753037 InChI Key: GTKMQYLNAZIAEF-UHFFFAOYSA-M Synonym: Dimethylammonium Dichlorotri(mu-chloro)bis[(S)-(-)-5,5′C-bis(diphenylphosphino)-4,4′C-bi-1,3-benzodioxole]diruthenate(II) PubChem CID: 121233601 IUPAC Name: [4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane;N-methylmethanamine;ruthenium;trichloronioruthenium(1-);chloride;hydrochloride SMILES: CNC.C1OC2=C(O1)C(=C(C=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=CC6=C5OCO6)P(C7=CC=CC=C7)C8=CC=CC=C8.C1OC2=C(O1)C(=C(C=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=CC6=C5OCO6)P(C7=CC=CC=C7)C8=CC=CC=C8.Cl.[Cl-].[ClH+][Ru-]([ClH+])[ClH+].[Ru]

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Specifications

PubChem CID	121233601
CAS	488809-34-3
Molecular Weight (g/mol)	1649.678
MDL Number	MFCD09753037
SMILES	CNC.C1OC2=C(O1)C(=C(C=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=CC6=C5OCO6)P(C7=CC=CC=C7)C8=CC=CC=C8.C1OC2=C(O1)C(=C(C=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=CC6=C5OCO6)P(C7=CC=CC=C7)C8=CC=CC=C8.Cl.[Cl-].[ClH+][Ru-]([ClH+])[ClH+].[Ru]
Synonym	Dimethylammonium Dichlorotri(mu-chloro)bis[(S)-(-)-5,5′C-bis(diphenylphosphino)-4,4′C-bi-1,3-benzodioxole]diruthenate(II)
IUPAC Name	[4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane;N-methylmethanamine;ruthenium;trichloronioruthenium(1-);chloride;hydrochloride
InChI Key	GTKMQYLNAZIAEF-UHFFFAOYSA-M
Molecular Formula	C78H67Cl5NO8P4Ru2+

7,121

4-(Diphenylphosphino)benzoic Acid 97.0+%, TCI America™

CAS: 2129-31-9 Molecular Formula: C19H15O2P Molecular Weight (g/mol): 306.30 MDL Number: MFCD00407264 InChI Key: GXMHDTPYKRTARV-UHFFFAOYSA-N Synonym: 4-diphenylphosphino benzoic acid,benzoic acid, 4-diphenylphosphino,4-diphenylphosphanyl-benzoic acid,diphenyl p-carboxyphenyl phosphine,4-diphenylphosphanyl benzoic acid,4-diphenylphosphanyl-benzoesaeure,acmc-209fit,4-diphenylphosphino benzoicacid,p-diphenylphosphino benzoic acid,4-carboxyphenyl diphenylphosphine PubChem CID: 627824 IUPAC Name: 4-(diphenylphosphanyl)benzoic acid SMILES: OC(=O)C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	627824
CAS	2129-31-9
Molecular Weight (g/mol)	306.30
MDL Number	MFCD00407264
SMILES	OC(=O)C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	4-diphenylphosphino benzoic acid,benzoic acid, 4-diphenylphosphino,4-diphenylphosphanyl-benzoic acid,diphenyl p-carboxyphenyl phosphine,4-diphenylphosphanyl benzoic acid,4-diphenylphosphanyl-benzoesaeure,acmc-209fit,4-diphenylphosphino benzoicacid,p-diphenylphosphino benzoic acid,4-carboxyphenyl diphenylphosphine
IUPAC Name	4-(diphenylphosphanyl)benzoic acid
InChI Key	GXMHDTPYKRTARV-UHFFFAOYSA-N
Molecular Formula	C19H15O2P

7,122

Dichloro[9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene]palladium(II) 98.0+%, TCI America™

CAS: 205319-10-4 Molecular Formula: C39H32Cl2OP2Pd Molecular Weight (g/mol): 755.95 MDL Number: MFCD14155707 InChI Key: MNBAPNBMBOYNAW-UHFFFAOYSA-L Synonym: dichloro 9,9-dimethyl-4,5-bis diphenylphosphino xanthene palladium ii,palladium 2+ xantphos dichloride,4,5-bis diphenylphosphino-9,9-dimethylxanthene dichloropalladium ii,4,5-bis diphenylphosphino-9,9-dimethylxanthene palladium ii dichloride PubChem CID: 86280406 IUPAC Name: [5-(diphenylphosphanyl)-9,9-dimethyl-9H-xanthen-4-yl]diphenylphosphane; dichloropalladiumbis(ylium) SMILES: Cl[Pd++]Cl.CC1(C)C2=C(OC3=C1C=CC=C3P(C1=CC=CC=C1)C1=CC=CC=C1)C(=CC=C2)P(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	86280406
CAS	205319-10-4
Molecular Weight (g/mol)	755.95
MDL Number	MFCD14155707
SMILES	Cl[Pd++]Cl.CC1(C)C2=C(OC3=C1C=CC=C3P(C1=CC=CC=C1)C1=CC=CC=C1)C(=CC=C2)P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	dichloro 9,9-dimethyl-4,5-bis diphenylphosphino xanthene palladium ii,palladium 2+ xantphos dichloride,4,5-bis diphenylphosphino-9,9-dimethylxanthene dichloropalladium ii,4,5-bis diphenylphosphino-9,9-dimethylxanthene palladium ii dichloride
IUPAC Name	[5-(diphenylphosphanyl)-9,9-dimethyl-9H-xanthen-4-yl]diphenylphosphane; dichloropalladiumbis(ylium)
InChI Key	MNBAPNBMBOYNAW-UHFFFAOYSA-L
Molecular Formula	C39H32Cl2OP2Pd

7,123

Carbonylhydridotris(triphenylphosphine)iridium(I), TCI America™

CAS: 17250-25-8 Molecular Formula: C55H46IrOP3 Molecular Weight (g/mol): 1008.11 MDL Number: MFCD00015525 InChI Key: IOPVMNYABUEALT-UHFFFAOYSA-N Synonym: carbonylhydridotris triphenylphosphine iridium i,iridium 1+ formaldehyde tris triphenylphosphine hydride PubChem CID: 92135237 IUPAC Name: methanidylidyneoxidanium tris(triphenylphosphane) iridium hydride SMILES: [IrH].[C-]#[O+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	92135237
CAS	17250-25-8
Molecular Weight (g/mol)	1008.11
MDL Number	MFCD00015525
SMILES	[IrH].[C-]#[O+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	carbonylhydridotris triphenylphosphine iridium i,iridium 1+ formaldehyde tris triphenylphosphine hydride
IUPAC Name	methanidylidyneoxidanium tris(triphenylphosphane) iridium hydride
InChI Key	IOPVMNYABUEALT-UHFFFAOYSA-N
Molecular Formula	C55H46IrOP3

7,124

(Trifluoromethyl)tris(triphenylphosphine)copper(I) 98.0+%, TCI America™

CAS: 325810-07-9 Molecular Formula: C55H45CuF3P3 Molecular Weight (g/mol): 919.427 InChI Key: ADEZRALRKPUAPZ-UHFFFAOYSA-N Synonym: Tris(triphenylphosphine)(trifluoromethyl)copper(I) PubChem CID: 85433410 IUPAC Name: copper(1+);trifluoromethane;triphenylphosphane SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[C-](F)(F)F.[Cu+]

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Specifications

PubChem CID	85433410
CAS	325810-07-9
Molecular Weight (g/mol)	919.427
SMILES	C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[C-](F)(F)F.[Cu+]
Synonym	Tris(triphenylphosphine)(trifluoromethyl)copper(I)
IUPAC Name	copper(1+);trifluoromethane;triphenylphosphane
InChI Key	ADEZRALRKPUAPZ-UHFFFAOYSA-N
Molecular Formula	C55H45CuF3P3

7,125

2-Chloro-4-nitrobenzoyl Chloride 98.0+%, TCI America™

CAS: 7073-36-1 Molecular Formula: C7H3Cl2NO3 Molecular Weight (g/mol): 220.01 MDL Number: MFCD00051515 InChI Key: KTHNITVDTYAHFF-UHFFFAOYSA-N Synonym: benzoyl chloride, 2-chloro-4-nitro,benzoyl chloride,2-chloro-4-nitro,acmc-209ofu,2-chloro-4-nitro-benzoyl chloride PubChem CID: 81522 IUPAC Name: 2-chloro-4-nitrobenzoyl chloride SMILES: [O-][N+](=O)C1=CC=C(C(Cl)=O)C(Cl)=C1

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Specifications

PubChem CID	81522
CAS	7073-36-1
Molecular Weight (g/mol)	220.01
MDL Number	MFCD00051515
SMILES	[O-][N+](=O)C1=CC=C(C(Cl)=O)C(Cl)=C1
Synonym	benzoyl chloride, 2-chloro-4-nitro,benzoyl chloride,2-chloro-4-nitro,acmc-209ofu,2-chloro-4-nitro-benzoyl chloride
IUPAC Name	2-chloro-4-nitrobenzoyl chloride
InChI Key	KTHNITVDTYAHFF-UHFFFAOYSA-N
Molecular Formula	C7H3Cl2NO3

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