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1261915-32-5 | [1,1'-Biphenyl]-3,4'-dicarboxylic acid, 3'-fluoro-
CAS No: 1261915-32-5 Catalog No: AG000S64 MDL No:MFCD18312663
Product Description
Catalog Number:
AG000S64
Chemical Name:
[1,1'-Biphenyl]-3,4'-dicarboxylic acid, 3'-fluoro-
CAS Number:
1261915-32-5
Molecular Formula:
C14H9FO4
Molecular Weight:
260.2173
MDL Number:
MFCD18312663
IUPAC Name:
4-(3-carboxyphenyl)-2-fluorobenzoic acid
InChI:
InChI=1S/C14H9FO4/c15-12-7-9(4-5-11(12)14(18)19)8-2-1-3-10(6-8)13(16)17/h1-7H,(H,16,17)(H,18,19)
InChI Key:
LCIZJJBPQCFJEY-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1ccc(c(c1)F)C(=O)O
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.048g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.22g/mol
Monoisotopic Mass:
260.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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