2-Chloro-4-hydroxy-5-nitrobenzoic acid

CAT: 0024-sc-489741Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-489741Size:1 g

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CAS Number

792952-51-3

Chemical Information

2-Chloro-4-hydroxy-5-nitrobenzoic acid

CAS Number	792952-51-3
PubChem CID	22631436
IUPAC Name	2-chloro-4-hydroxy-5-nitrobenzoic acid
Molecular Formula	C7H4ClNO5
Molecular Weight	217.56
XLogP	2.1
Topological Polar Surface Area	103
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	253

SMILES

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

InChI

InChI=1S/C7H4ClNO5/c8-4-2-6(10)5(9(13)14)1-3(4)7(11)12/h1-2,10H,(H,11,12)

InChIKey

POXKNUFPZVKHIL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 792952-51-3

CID: 22631436

Formula: C7H4ClNO5

MW: 217.56

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	217.56
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	216.9777999
Monoisotopic Mass	216.9777999
Topological Polar Surface Area	103 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	253
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
sc-505015	4-Chloro-5-hydroxy-2-nitrobenzoic Acid Methyl Ester
sc-352669	5-hydroxy-4-methoxy-2-nitrobenzoic acid
sc-352669A	5-hydroxy-4-methoxy-2-nitrobenzoic acid
sc-268076	5-Hydroxy-2-nitrobenzoic acid
sc-238076	2-Hydroxy-5-nitrobenzoic acid
sc-256159	2-Hydroxy-4-nitrobenzoic acid
sc-299439A	4-Chloro-2-fluoro-5-nitrobenzoic acid
sc-298353	2-Chloro-4-fluoro-5-nitrobenzoic acid
sc-505019	4-Chloro-5-fluoro-2-nitrobenzoic Acid
sc-237981	2-Chloro-5-nitrobenzoic acid

Catalog	Name
OR77236-01	2-Chloro-4-hydroxy-5-nitrobenzoic acid
OR1034938-01	4-Chloro-3-hydroxy-5-nitrobenzoic acid
HAA19578-01	5-chloro-2-hydroxy-3-nitrobenzoic acid
TRC-C366965-50MG	4-Chloro-5-hydroxy-2-nitrobenzoic Acid Methyl Ester
FH71119-01	5-Hydroxy-2-nitrobenzoic acid
OR400486	2-Hydroxy-4-methoxy-5-nitrobenzoic acid
OR510185	4-Hydroxy-5-methoxy-2-nitrobenzoic acid
OR54342-01	5-Hydroxy-4-methoxy-2-nitrobenzoic acid
OR4992-01	2-Hydroxy-5-nitrobenzoic acid
TRC-B446825-50MG	4-Hydroxy-2-nitrobenzoic Acid