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1261996-91-1 | [1,1'-Biphenyl]-3-carboxylic acid, 3'-acetyl-5-fluoro-
CAS No: 1261996-91-1 Catalog No: AG000SBA MDL No:MFCD18320101
Product Description
Catalog Number:
AG000SBA
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 3'-acetyl-5-fluoro-
CAS Number:
1261996-91-1
Molecular Formula:
C15H11FO3
Molecular Weight:
258.2444
MDL Number:
MFCD18320101
IUPAC Name:
3-(3-acetylphenyl)-5-fluorobenzoic acid
InChI:
InChI=1S/C15H11FO3/c1-9(17)10-3-2-4-11(5-10)12-6-13(15(18)19)8-14(16)7-12/h2-8H,1H3,(H,18,19)
InChI Key:
BHKFBSPXVATODO-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1)c1cccc(c1)C(=O)C)C(=O)O
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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