3-Chloro-5-nitrobenzoic acid

CAT: 0926-JBA66236Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-JBA66236Size:25 g

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CAS Number

34662-36-7

MDL Number

MFCD09263224

Smiles

Clc1cc (cc (c1) C (=O) O) [N+] (=O) [O-]

Molecular Formula

C7H4ClNO4

Molecular Weight

201.56 g/mol

Controlled

Chemical Information

3-Chloro-5-nitrobenzoic acid

CAS Number	34662-36-7
PubChem CID	221484
IUPAC Name	3-chloro-5-nitrobenzoic acid
Molecular Formula	C7H4ClNO4
Molecular Weight	201.56
XLogP	2
Topological Polar Surface Area	83.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	227

SMILES

C1=C(C=C(C=C1[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C7H4ClNO4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3H,(H,10,11)

InChIKey

YLQAJBKACBLUCM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 34662-36-7

CID: 221484

Formula: C7H4ClNO4

MW: 201.56

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	201.56
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	200.9828853
Monoisotopic Mass	200.9828853
Topological Polar Surface Area	83.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	227
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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HAA19578-01	5-chloro-2-hydroxy-3-nitrobenzoic acid
AQB16234-01	3-Chloro-2-fluoro-5-nitrobenzoic acid
EGA25781	5-Chloro-2-methyl-3-nitrobenzoic acid
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PMC53015-01	4-Chloro-3-methyl-5-nitrobenzoic acid
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GAA32451-01	2-Amino-5-chloro-3-nitrobenzoic acid
PDA89414-01	5-Chloro-2-methoxy-3-nitrobenzoic acid

Catalog	Name
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PC1001176-01	2-Chloro-3-fluoro-5-nitrobenzoic acid
OR1028553-01	5-Bromo-2-Chloro-3-Nitrobenzoic Acid
OR1034938-01	4-Chloro-3-hydroxy-5-nitrobenzoic acid
PC100256-01	3-Chloro-4-fluoro-5-nitrobenzoic acid
PC103287-01	5-Chloro-2-fluoro-3-nitrobenzoic acid