2-Fluorobenzoic acid methyl ester

CAT: 0926-FF70135-01Size: 25 gDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FF70135-01Size:25 g

Selected

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

Quick Request Actions

CAS Number

394-35-4

Synonyms

Methyl 2-fluorobenzoate

MDL Number

MFCD00017913

Smiles

COC (=O) C1=CC=CC=C1F

Molecular Formula

C8H7FO2

Molecular Weight

154.14 g/mol

Controlled

Chemical Information

Benzoic acid, 2-fluoro-, methyl ester

CAS Number	394-35-4
PubChem CID	67854
IUPAC Name	methyl 2-fluorobenzoate
Molecular Formula	C8H7FO2
Molecular Weight	154.14
XLogP	1.8
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	147

SMILES

COC(=O)C1=CC=CC=C1F

InChI

InChI=1S/C8H7FO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3

InChIKey

QAFJIJWLEBLXHH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 394-35-4

CID: 67854

Formula: C8H7FO2

MW: 154.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.14
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	154.04300762
Monoisotopic Mass	154.04300762
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	147
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
FC69904-01	2-Chloro-6-fluorobenzoic acid methyl ester
FB70039-01	2-Bromo-6-fluorobenzoic acid methyl ester
FM64244-01	2-Amino-3-fluorobenzoic acid methyl ester
FC67300-01	2-Cyano-5-fluorobenzoic acid ethyl ester
FB66895-01	2-Bromo-3-fluorobenzoic acid ethyl ester
FB66441	2-Bromo-6-fluorobenzoic acid ethyl ester
FA67884-01	2-Amino-6-fluorobenzoic acid ethyl ester
FA67133	2-Amino-3-fluorobenzoic acid ethyl ester
FF23419	2-Fluorobenzoic acid
XAC79994-01	3-[ (Benzyloxy) methyl]-4-fluorobenzoic acid

Catalog	Name
276346-01	3-Fluorobenzoic acid methyl ester
TRC-F588370-25G	4-Fluorobenzoic Acid Methyl Ester
MBS6087007-01	3-Fluorobenzoic Acid, Methyl Ester
TRC-B683335-25G	4-Bromo-2-fluorobenzoic Acid Methyl Ester
N2592-46	2-Nitro-5-fluorobenzoic Acid, Methyl Ester
415764-01	2-Bromo-3-fluorobenzoic acid methyl ester
423952-01	3-Aminomethyl-5-fluorobenzoic Acid Methyl Ester
267662-01	4-Chloro-3-fluorobenzoic acid methyl ester
425246-01	3-Cyano-5-fluorobenzoic Acid Methyl Ester
PC1014455	3- (Dimethylamino) -5-fluorobenzoic acid methyl ester