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342-46-1 | 2-(3-Fluoro-4-methylbenzoyl)benzoic acid
CAS No: 342-46-1 Catalog No: AG01EVLR MDL No:
Product Description
Catalog Number:
AG01EVLR
Chemical Name:
2-(3-Fluoro-4-methylbenzoyl)benzoic acid
CAS Number:
342-46-1
Molecular Formula:
C15H11FO3
Molecular Weight:
258.2444
IUPAC Name:
2-(3-fluoro-4-methylbenzoyl)benzoic acid
InChI:
InChI=1S/C15H11FO3/c1-9-6-7-10(8-13(9)16)14(17)11-4-2-3-5-12(11)15(18)19/h2-8H,1H3,(H,18,19)
InChI Key:
GJTUGBQKSGFZQA-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(=O)O)c1ccc(c(c1)F)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.248g/mol
Monoisotopic Mass:
258.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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