4-Chloro-3-hydroxybenzoic acid methyl ester

CAT: 0926-FC76172-01Size: 5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FC76172-01Size:5 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

166272-81-7

Synonyms

Methyl 4-chloro-3-hydroxybenzoate

MDL Number

MFCD11505968

Smiles

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

Molecular Formula

C8H7ClO3

Molecular Weight

186.59 g/mol

Controlled

Chemical Information

Methyl 4-chloro-3-hydroxybenzoate

CAS Number	166272-81-7
PubChem CID	11819787
IUPAC Name	methyl 4-chloro-3-hydroxybenzoate
Molecular Formula	C8H7ClO3
Molecular Weight	186.59
XLogP	2.3
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	172

SMILES

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

InChI

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

InChIKey

JTYWGSFSTNIJTA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 166272-81-7

CID: 11819787

Formula: C8H7ClO3

MW: 186.59

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.59
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	186.0083718
Monoisotopic Mass	186.0083718
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	172
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
FC70262-01	2-Chloro-4-hydroxybenzoic acid methyl ester
FC178108-01	3-Chloro-5-hydroxybenzoic acid methyl ester
FA137928-01	3-Acetyl-4-hydroxybenzoic acid methyl ester
FF13992-01	3-Fluoro-4-hydroxybenzoic acid methyl ester
FF67622-01	4-Fluoro-2-hydroxybenzoic acid methyl ester
FB66855-01	4-Bromo-2-hydroxybenzoic acid methyl ester
FD67080-01	2,4-Difluoro-3-hydroxybenzoic acid methyl ester
FD71054-01	3,5-Dimethoxy-4-hydroxybenzoic acid methyl ester
FD66549-01	3,5-Difluoro-4-hydroxybenzoic acid methyl ester
FB70762-01	3-tert-Butyl-4-hydroxybenzoic acid methyl ester

Catalog	Name
sc-504977	4-Chloro-3-hydroxybenzoic Acid Methyl Ester
TRC-C366810-25MG	4-Chloro-3-hydroxybenzoic Acid Ethyl Ester
161264	4-Bromo-3-hydroxybenzoic Acid Methyl Ester
276114-01	3-Fluoro-4-hydroxybenzoic acid methyl ester
sc-479846	2-Amino-4-chloro-5-hydroxybenzoic Acid Methyl Ester Hydrochloride
423151-01	3- (Cyclopropylmethoxy) -3-hydroxybenzoic Acid Methyl Ester
159588	2-Fluoro-4-hydroxybenzoic Acid Methyl Ester
A611275	3-Amino-2-hydroxybenzoic Acid Methyl Ester
sc-480957	3- (Acetylamino) -2-hydroxybenzoic Acid Methyl Ester
A168275	3-(Acetylamino)-2-hydroxybenzoic Acid Methyl Ester