5-Fluoro-2-methylbenzoic acid

CAT: 0926-FF23380-01Size: 100 gDry Ice: NoHazardous: No

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CAT#:0926-FF23380-01Size:100 g

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CAS Number

33184-16-6

Synonyms

3-Fluoro-6-methylbenzoic acid

MDL Number

MFCD00042294

Smiles

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

Molecular Formula

C8H7FO2

Molecular Weight

154.14 g/mol

Controlled

Chemical Information

5-Fluoro-2-methylbenzoic acid

CAS Number	33184-16-6
PubChem CID	182114
IUPAC Name	5-fluoro-2-methylbenzoic acid
Molecular Formula	C8H7FO2
Molecular Weight	154.14
XLogP	1.9
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=C(C=C1)F)C(=O)O

InChI

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

InChIKey

JVBLXLBINTYFPR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 33184-16-6

CID: 182114

Formula: C8H7FO2

MW: 154.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.14
XLogP3	1.9
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
FF70357-01	3-Fluoro-5-methylbenzoic acid
IIA16596	2-Chloro-4-fluoro-5-methylbenzoic acid
ZJB80425	2-Amino-5-fluoro-3-methylbenzoic acid
CHA21131-01	4-Chloro-2-fluoro-5-methylbenzoic acid
QVA13565-01	5-Bromo-2-fluoro-4-methylbenzoic acid
UKC21109-01	5- (Chlorosulfonyl) -2-fluoro-4-methylbenzoic acid
XCA51816	3-bromo-2-fluoro-5-methylbenzoic acid
DQB70939	2-bromo-4-fluoro-5-methylbenzoic acid
UFC04067-01	5- (Chlorosulfonyl) -2-fluoro-3-methylbenzoic acid
JBD32668-01	5- (Chlorosulfonyl) -3-fluoro-2-methylbenzoic acid

Catalog	Name
276307-01	5-Fluoro-2-methylbenzoic acid
PC0854-01	2-Fluoro-5-methylbenzoic acid
F03465-01	5-Fluoro-2-methylbenzoic acid 99%
sc-260974	3-Fluoro-5-methylbenzoic acid
sc-483252	4-Bromo-2-fluoro-5-methylbenzoic acid
PC1015106-01	2- (Benzyloxy) -5-fluoro-4-methylbenzoic acid
PC1012077-01	2-Ethoxy-5-fluoro-3-methylbenzoic acid
PC1012076-01	3-fluoro-2-hydroxy-5-methylbenzoic acid
PC1011949-01	2-fluoro-5-iodo-3-methylbenzoic acid
PC1010721	5-chloro-3-fluoro-2-methylbenzoic acid