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321687-05-2 | 2-(4-Fluoro-3-methylbenzoyl)benzoic acid
CAS No: 321687-05-2 Catalog No: AG01EUWO MDL No:
Product Description
Catalog Number:
AG01EUWO
Chemical Name:
2-(4-Fluoro-3-methylbenzoyl)benzoic acid
CAS Number:
321687-05-2
Molecular Formula:
C15H11FO3
Molecular Weight:
258.2444
IUPAC Name:
2-(4-fluoro-3-methylbenzoyl)benzoic acid
InChI:
InChI=1S/C15H11FO3/c1-9-8-10(6-7-13(9)16)14(17)11-4-2-3-5-12(11)15(18)19/h2-8H,1H3,(H,18,19)
InChI Key:
RFNUZPIMNJBZRN-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(=O)O)c1ccc(c(c1)C)F
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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