2-Fluoro-3-methylbenzoic acid

CAT: 0926-FF71229-01Size: 0.05 kgDry Ice: NoHazardous: No

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CAT#:0926-FF71229-01Size:0.05 kg

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CAS Number

315-31-1

MDL Number

MFCD00042504

Smiles

CC1=C (C (=CC=C1) C (=O) O) F

Molecular Formula

C8H7FO2

Molecular Weight

154.14 g/mol

Controlled

Chemical Information

2-Fluoro-3-methylbenzoic acid

CAS Number	315-31-1
PubChem CID	2737379
IUPAC Name	2-fluoro-3-methylbenzoic acid
Molecular Formula	C8H7FO2
Molecular Weight	154.14
XLogP	2.8
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	158

SMILES

CC1=C(C(=CC=C1)C(=O)O)F

InChI

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

InChIKey

DGNAETGARNTCIL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 315-31-1

CID: 2737379

Formula: C8H7FO2

MW: 154.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.14
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	154.04300762
Monoisotopic Mass	154.04300762
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	158
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
FF67796-01	2-Fluoro-6-methylbenzoic acid
FF64210	4-Fluoro-2-methylbenzoic acid
FF70357-01	3-Fluoro-5-methylbenzoic acid
FF64209-01	3-Fluoro-4-methylbenzoic acid
FF64207-01	2-Fluoro-4-methylbenzoic acid
FF23380-01	5-Fluoro-2-methylbenzoic acid
ZJB80425	2-Amino-5-fluoro-3-methylbenzoic acid
ZDC71697-01	4-Bromo-3-fluoro-2-methylbenzoic acid
CHC43322-01	3-Bromo-2-fluoro-6-methylbenzoic acid
XCA51816	3-bromo-2-fluoro-5-methylbenzoic acid