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1261991-51-8 | [1,1'-Biphenyl]-3-carboxylic acid, 3'-acetyl-6-fluoro-
CAS No: 1261991-51-8 Catalog No: AG000SBO MDL No:MFCD18320097
Product Description
Catalog Number:
AG000SBO
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 3'-acetyl-6-fluoro-
CAS Number:
1261991-51-8
Molecular Formula:
C15H11FO3
Molecular Weight:
258.2444
MDL Number:
MFCD18320097
IUPAC Name:
3-(3-acetylphenyl)-4-fluorobenzoic acid
InChI:
InChI=1S/C15H11FO3/c1-9(17)10-3-2-4-11(7-10)13-8-12(15(18)19)5-6-14(13)16/h2-8H,1H3,(H,18,19)
InChI Key:
PTEJUUKQAVSEOM-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc(c1)c1cc(ccc1F)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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