2-Chloro-4-hydroxybenzoic acid

CAT: 0127-OR345112-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR345112-01Size:1 g

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CAS Number

56363-84-9

MDL Number

MFCD00045855

Purity

97%

Smiles

OC(=O)c1ccc(O)cc1Cl

Chemical Information

2-Chloro-4-hydroxybenzoic acid

CAS Number	56363-84-9
PubChem CID	91821
IUPAC Name	2-chloro-4-hydroxybenzoic acid
Molecular Formula	C7H5ClO3
Molecular Weight	172.56
XLogP	1.8
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	160

SMILES

C1=CC(=C(C=C1O)Cl)C(=O)O

InChI

InChI=1S/C7H5ClO3/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,9H,(H,10,11)

InChIKey

WIPYZRZPNMUSER-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 56363-84-9

CID: 91821

Formula: C7H5ClO3

MW: 172.56

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.56
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	171.9927217
Monoisotopic Mass	171.9927217
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	160
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
OR2357-01	4-Chloro-2-hydroxybenzoic acid
OR80730-01	3-Chloro-4-hydroxybenzoic acid
OR6115	4-Chloro-3-hydroxybenzoic acid
PC1022313-01	2-Chloro-4-fluoro-5-hydroxybenzoic acid
PC1022312-01	4-Chloro-2-fluoro-5-hydroxybenzoic acid
PC1005216-01	4-Chloro-5-fluoro-2-hydroxybenzoic acid
PC1025201	5-chloro-2-fluoro-4-hydroxybenzoic acid
PC1002780-01	4-Chloro-3-fluoro-2-hydroxybenzoic acid
OR1049093-01	2-Amino-4-chloro-3-hydroxybenzoic acid
PC1022310-01	4-Chloro-2-fluoro-3-hydroxybenzoic acid

Catalog	Name
sc-274518	2-Chloro-4-hydroxybenzoic acid
FC04139-01	2-Chloro-4-hydroxybenzoic acid monohydrate
416775-01	2-Chloro-4-hydroxybenzoic acid hydrate
161302	4-Chloro-3-hydroxybenzoic Acid
RG-E141065-01	3-Chloro-4-hydroxybenzoic acid
FC70262-01	2-Chloro-4-hydroxybenzoic acid methyl ester
ACA48118-01	4-Amino-3-chloro-2-hydroxybenzoic acid
435676-01	5-Bromo-4-chloro-2-hydroxybenzoic acid
CTC67605-01	4-Chloro-3-fluoro-2-hydroxybenzoic acid
sc-480783	2-Amino-4-chloro-5-hydroxybenzoic acid