200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1261971-58-7
1261971-58-7 | [1,1'-Biphenyl]-3-carboxylic acid, 2'-fluoro-5-methoxy-5'-methyl-
CAS No: 1261971-58-7 Catalog No: AG000SA5 MDL No:MFCD18319579
Product Description
Catalog Number:
AG000SA5
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 2'-fluoro-5-methoxy-5'-methyl-
CAS Number:
1261971-58-7
Molecular Formula:
C15H13FO3
Molecular Weight:
260.2603
MDL Number:
MFCD18319579
IUPAC Name:
3-(2-fluoro-5-methylphenyl)-5-methoxybenzoic acid
InChI:
InChI=1S/C15H13FO3/c1-9-3-4-14(16)13(5-9)10-6-11(15(17)18)8-12(7-10)19-2/h3-8H,1-2H3,(H,17,18)
InChI Key:
LCUKFALQXGSDAY-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)c1cc(C)ccc1F)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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.