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26583-81-3 | Benzoic acid, 3-fluoro-2,4-dimethyl-
CAS No: 26583-81-3 Catalog No: AG002TRO MDL No:
Product Description
Catalog Number:
AG002TRO
Chemical Name:
Benzoic acid, 3-fluoro-2,4-dimethyl-
CAS Number:
26583-81-3
Molecular Formula:
C9H9FO2
Molecular Weight:
168.1650
IUPAC Name:
3-fluoro-2,4-dimethylbenzoic acid
InChI:
InChI=1S/C9H9FO2/c1-5-3-4-7(9(11)12)6(2)8(5)10/h3-4H,1-2H3,(H,11,12)
InChI Key:
JYQYXSNDQKZGEH-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1C)F)C
Properties
Complexity:
181
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:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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