2-chloro-6-hydroxy-3-methylbenzoic acid

CAT: 0127-OR1097211-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1097211-01Size:250 mg

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CAS Number

1781625-83-9

MDL Number

MFCD34823765

Purity

97%

Smiles

C1 (ccc (c (c1C (=O) O) Cl) C) O

Chemical Information

2-Chloro-6-hydroxy-3-methylbenZoic acid

CAS Number	1781625-83-9
PubChem CID	84770197
IUPAC Name	2-chloro-6-hydroxy-3-methylbenzoic acid
Molecular Formula	C8H7ClO3
Molecular Weight	186.59
XLogP	2.6
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	183

SMILES

CC1=C(C(=C(C=C1)O)C(=O)O)Cl

InChI

InChI=1S/C8H7ClO3/c1-4-2-3-5(10)6(7(4)9)8(11)12/h2-3,10H,1H3,(H,11,12)

InChIKey

PUSAXQJSJPNZRT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1781625-83-9

CID: 84770197

Formula: C8H7ClO3

MW: 186.59

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.59
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	186.0083718
Monoisotopic Mass	186.0083718
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	183
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
OR1094491-01	6-Chloro-2-hydroxy-3-methylbenzoic acid
OR1050842-01	5-Chloro-2-hydroxy-3-methylbenzoic acid
OR96916	4-Chloro-2-hydroxy-3-methylbenzoic acid
OR1086073-01	2-chloro-4-hydroxy-3-methylbenzoic acid
OR16150-01	2-Hydroxy-6-methylbenzoic acid
OR78194-01	3-Chloro-4-hydroxy-5-methylbenzoic acid
OR301071-01	2-Chloro-6-methylbenzoic acid
PC1024014-01	6-fluoro-2-hydroxy-3-methylbenzoic acid
OR1051221-01	2-Hydroxy-3-isopropyl-6-methylbenzoic acid
OR1035045-01	3-Bromo-6-hydroxy-2-methylbenzoic acid

Catalog	Name
PDA93857-01	3-Chloro-2-hydroxy-6-methylbenzoic acid
AL BE 0464-01	5-chloro-2-hydroxy-3-methylbenzoic acid
sc-274880	2-Hydroxy-6-methylbenzoic acid
FC55107-01	6-Chloro-2-methylbenzoic acid
abx183166-01	2-Chloro-6-methylbenzoic acid
CKA95518-01	3-Bromo-6-hydroxy-2-methylbenzoic acid
sc-251766	2-Hydroxy-3-isopropyl-6-methylbenzoic acid
sc-230393	2-Hydroxy-6-isopropyl-3-methylbenzoic acid
HJB00581-01	2-Amino-6-chloro-3-methylbenzoic acid
sc-281479	6-Chloro-2-fluoro-3-methylbenzoic acid