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1261954-92-0 | [1,1'-Biphenyl]-4-carboxylic acid, 4'-(1,1-dimethylethyl)-2-fluoro-
CAS No: 1261954-92-0 Catalog No: AG000S8R MDL No:MFCD18321113
Product Description
Catalog Number:
AG000S8R
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 4'-(1,1-dimethylethyl)-2-fluoro-
CAS Number:
1261954-92-0
Molecular Formula:
C17H17FO2
Molecular Weight:
272.3141
MDL Number:
MFCD18321113
IUPAC Name:
4-(4-tert-butylphenyl)-3-fluorobenzoic acid
InChI:
InChI=1S/C17H17FO2/c1-17(2,3)13-7-4-11(5-8-13)14-9-6-12(16(19)20)10-15(14)18/h4-10H,1-3H3,(H,19,20)
InChI Key:
AAAKUFCDNYZEHW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)F)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.319g/mol
Monoisotopic Mass:
272.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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