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1365271-52-8 | [1,1'-Biphenyl]-4-carboxylic acid, 2'-acetyl-3-fluoro-
CAS No: 1365271-52-8 Catalog No: AG0011Z5 MDL No:MFCD21609634
Product Description
Catalog Number:
AG0011Z5
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 2'-acetyl-3-fluoro-
CAS Number:
1365271-52-8
Molecular Formula:
C15H11FO3
Molecular Weight:
258.2444
MDL Number:
MFCD21609634
IUPAC Name:
4-(2-acetylphenyl)-2-fluorobenzoic acid
InChI:
InChI=1S/C15H11FO3/c1-9(17)11-4-2-3-5-12(11)10-6-7-13(15(18)19)14(16)8-10/h2-8H,1H3,(H,18,19)
InChI Key:
XTPPPCROVGUUCV-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1F)c1ccccc1C(=O)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:
2.9
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