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1841-58-3 | 3'-Fluorobiphenyl-4-carboxylic acid
CAS No: 1841-58-3 Catalog No: AG00387R MDL No:MFCD03424609
Product Description
Catalog Number:
AG00387R
Chemical Name:
3'-Fluorobiphenyl-4-carboxylic acid
CAS Number:
1841-58-3
Molecular Formula:
C13H9FO2
Molecular Weight:
216.2078
MDL Number:
MFCD03424609
IUPAC Name:
4-(3-fluorophenyl)benzoic acid
InChI:
InChI=1S/C13H9FO2/c14-12-3-1-2-11(8-12)9-4-6-10(7-5-9)13(15)16/h1-8H,(H,15,16)
InChI Key:
SJIIGBFXZWSXJP-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)c1ccc(cc1)C(=O)O
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.211g/mol
Monoisotopic Mass:
216.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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