200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 1261478-26-5
1261478-26-5 | Benzoic acid, 2-hydroxy-5-(trifluoromethyl)-, methyl ester
CAS No: 1261478-26-5 Catalog No: AG000RRR MDL No:
Product Description
Catalog Number:
AG000RRR
Chemical Name:
Benzoic acid, 2-hydroxy-5-(trifluoromethyl)-, methyl ester
CAS Number:
1261478-26-5
Molecular Formula:
C9H7F3O3
Molecular Weight:
220.1453
IUPAC Name:
methyl 2-hydroxy-5-(trifluoromethyl)benzoate
InChI:
InChI=1S/C9H7F3O3/c1-15-8(14)6-4-5(9(10,11)12)2-3-7(6)13/h2-4,13H,1H3
InChI Key:
WYAZXWRYHRTDET-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1O)C(F)(F)F
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.147g/mol
Monoisotopic Mass:
220.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.