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1261978-89-5 | [1,1'-Biphenyl]-3-carboxylic acid, 5-fluoro-4'-methyl-
CAS No: 1261978-89-5 Catalog No: AG000SAW MDL No:MFCD18318959
Product Description
Catalog Number:
AG000SAW
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 5-fluoro-4'-methyl-
CAS Number:
1261978-89-5
Molecular Formula:
C14H11FO2
Molecular Weight:
230.2343
MDL Number:
MFCD18318959
IUPAC Name:
3-fluoro-5-(4-methylphenyl)benzoic acid
InChI:
InChI=1S/C14H11FO2/c1-9-2-4-10(5-3-9)11-6-12(14(16)17)8-13(15)7-11/h2-8H,1H3,(H,16,17)
InChI Key:
XDZUYMRUEWJEPR-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1)C(=O)O)c1ccc(cc1)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.238g/mol
Monoisotopic Mass:
230.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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