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261951-75-1 | Benzeneacetic acid, 5-fluoro-2-methyl-
CAS No: 261951-75-1 Catalog No: AG002S6N MDL No:MFCD01631530
Product Description
Catalog Number:
AG002S6N
Chemical Name:
Benzeneacetic acid, 5-fluoro-2-methyl-
CAS Number:
261951-75-1
Molecular Formula:
C9H9FO2
Molecular Weight:
168.1650
MDL Number:
MFCD01631530
IUPAC Name:
2-(5-fluoro-2-methylphenyl)acetic acid
InChI:
InChI=1S/C9H9FO2/c1-6-2-3-8(10)4-7(6)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChI Key:
BPWHUOQJJZVQLO-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1CC(=O)O)F
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.167g/mol
Monoisotopic Mass:
168.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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