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1261941-47-2 | [1,1'-Biphenyl]-3,4'-dicarboxylic acid, 6-fluoro-
CAS No: 1261941-47-2 Catalog No: AG000S70 MDL No:MFCD18312667
Product Description
Catalog Number:
AG000S70
Chemical Name:
[1,1'-Biphenyl]-3,4'-dicarboxylic acid, 6-fluoro-
CAS Number:
1261941-47-2
Molecular Formula:
C14H9FO4
Molecular Weight:
260.2173
MDL Number:
MFCD18312667
IUPAC Name:
3-(4-carboxyphenyl)-4-fluorobenzoic acid
InChI:
InChI=1S/C14H9FO4/c15-12-6-5-10(14(18)19)7-11(12)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17)(H,18,19)
InChI Key:
VBAURUWJCUZANA-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1c1ccc(cc1)C(=O)O)C(=O)O
Properties
Complexity:
349
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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