200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1214372-96-9
1214372-96-9 | Benzeneacetic acid, 3-methoxy-4-(trifluoromethyl)-
CAS No: 1214372-96-9 Catalog No: AG0014XI MDL No:MFCD13194423
Product Description
Catalog Number:
AG0014XI
Chemical Name:
Benzeneacetic acid, 3-methoxy-4-(trifluoromethyl)-
CAS Number:
1214372-96-9
Molecular Formula:
C10H9F3O3
Molecular Weight:
234.1719
MDL Number:
MFCD13194423
IUPAC Name:
2-[3-methoxy-4-(trifluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C10H9F3O3/c1-16-8-4-6(5-9(14)15)2-3-7(8)10(11,12)13/h2-4H,5H2,1H3,(H,14,15)
InChI Key:
CANSVHIUOSLUFO-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C(F)(F)F)CC(=O)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.05g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.174g/mol
Monoisotopic Mass:
234.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.