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1381944-35-9 | [1,1'-Biphenyl]-3-carboxylic acid, 6-fluoro-4'-methoxy-, methyl ester
CAS No: 1381944-35-9 Catalog No: AG00185T MDL No:MFCD22375075
Product Description
Catalog Number:
AG00185T
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 6-fluoro-4'-methoxy-, methyl ester
CAS Number:
1381944-35-9
Molecular Formula:
C15H13FO3
Molecular Weight:
260.2603
MDL Number:
MFCD22375075
IUPAC Name:
methyl 4-fluoro-3-(4-methoxyphenyl)benzoate
InChI:
InChI=1S/C15H13FO3/c1-18-12-6-3-10(4-7-12)13-9-11(15(17)19-2)5-8-14(13)16/h3-9H,1-2H3
InChI Key:
YJOMALXZPDTYEO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc(ccc1F)C(=O)OC
Properties
Complexity:
300
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:
0
Isotope Atom Count:
0
Molecular Weight:
260.264g/mol
Monoisotopic Mass:
260.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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