2-Fluoro-4-hydroxybenzoic acid methyl ester

CAT: 0024-sc-497262Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-497262Size:1 g

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CAS Number

197507-22-5

Chemical Information

Methyl 2-fluoro-4-hydroxybenzoate

CAS Number	197507-22-5
PubChem CID	22463192
IUPAC Name	methyl 2-fluoro-4-hydroxybenzoate
Molecular Formula	C8H7FO3
Molecular Weight	170.14
XLogP	1.5
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	172

SMILES

COC(=O)C1=C(C=C(C=C1)O)F

InChI

InChI=1S/C8H7FO3/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4,10H,1H3

InChIKey

WYSPMXSNCAFCFV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 197507-22-5

CID: 22463192

Formula: C8H7FO3

MW: 170.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.14
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	170.03792224
Monoisotopic Mass	170.03792224
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
sc-504977	4-Chloro-3-hydroxybenzoic Acid Methyl Ester
sc-265687	2-Fluoro-4-hydroxybenzoic acid
sc-480957	3- (Acetylamino) -2-hydroxybenzoic Acid Methyl Ester
sc-336876	5-Formyl-2-hydroxybenzoic acid methyl ester
sc-232696	4-Fluoro-3-hydroxybenzoic acid
sc-254471	3-Fluoro-4-hydroxybenzoic acid
sc-500571	3- (Cyclopropylmethoxy) -3-hydroxybenzoic Acid Methyl Ester
sc-479846	2-Amino-4-chloro-5-hydroxybenzoic Acid Methyl Ester Hydrochloride
sc-490533	2-Hydroxybenzoic acid 4- (chloromethyl) phenyl ester
sc-480955	4-Acetylamino-3-hydroxybenzoic Acid Ethyl Ester

Catalog	Name
TRC-F591855-5G	2-Fluoro-4-hydroxybenzoic Acid Methyl Ester
FF67622-01	4-Fluoro-2-hydroxybenzoic acid methyl ester
FF13992-01	3-Fluoro-4-hydroxybenzoic acid methyl ester
FF67262-01	3-Fluoro-2-hydroxybenzoic acid methyl ester
FC70262-01	2-Chloro-4-hydroxybenzoic acid methyl ester
FB66855-01	4-Bromo-2-hydroxybenzoic acid methyl ester
FF66743	3-Fluoro-4-hydroxybenzoic acid ethyl ester
FF66938-01	2-Fluoro-5-hydroxybenzoic acid ethyl ester
PC408069	2,4-Difluoro-6-hydroxybenzoic acid methyl ester
FD67619-01	2,6-Difluoro-4-hydroxybenzoic acid methyl ester