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Home > Fluorides > 135030-71-6
135030-71-6 | 2-(3-Fluoro-6-methoxybenzoyl)benzoic acid
CAS No: 135030-71-6 Catalog No: AG01FBKR MDL No:
Product Description
Catalog Number:
AG01FBKR
Chemical Name:
2-(3-Fluoro-6-methoxybenzoyl)benzoic acid
CAS Number:
135030-71-6
Molecular Formula:
C15H11FO4
Molecular Weight:
274.2438
IUPAC Name:
2-(5-fluoro-2-methoxybenzoyl)benzoic acid
InChI:
InChI=1S/C15H11FO4/c1-20-13-7-6-9(16)8-12(13)14(17)10-4-2-3-5-11(10)15(18)19/h2-8H,1H3,(H,18,19)
InChI Key:
YNXYXVNBWMAMIV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(=O)c1ccccc1C(=O)O)F
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.247g/mol
Monoisotopic Mass:
274.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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