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1261998-28-0 | [1,1'-Biphenyl]-4-carboxylic acid, 4'-fluoro-3'-methoxy-2-methyl-
CAS No: 1261998-28-0 Catalog No: AG000SB9 MDL No:MFCD18320658
Product Description
Catalog Number:
AG000SB9
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 4'-fluoro-3'-methoxy-2-methyl-
CAS Number:
1261998-28-0
Molecular Formula:
C15H13FO3
Molecular Weight:
260.2603
MDL Number:
MFCD18320658
IUPAC Name:
4-(4-fluoro-3-methoxyphenyl)-3-methylbenzoic acid
InChI:
InChI=1S/C15H13FO3/c1-9-7-11(15(17)18)3-5-12(9)10-4-6-13(16)14(8-10)19-2/h3-8H,1-2H3,(H,17,18)
InChI Key:
SSCYIDRIPCVRIM-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1F)c1ccc(cc1C)C(=O)O
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.264g/mol
Monoisotopic Mass:
260.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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