200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 148437-99-4
148437-99-4 | Benzoic acid, 2-(trifluoromethoxy)-, methyl ester
CAS No: 148437-99-4 Catalog No: AG001KXU MDL No:MFCD00052336
Product Description
Catalog Number:
AG001KXU
Chemical Name:
Benzoic acid, 2-(trifluoromethoxy)-, methyl ester
CAS Number:
148437-99-4
Molecular Formula:
C9H7F3O3
Molecular Weight:
220.1453
MDL Number:
MFCD00052336
IUPAC Name:
methyl 2-(trifluoromethoxy)benzoate
InChI:
InChI=1S/C9H7F3O3/c1-14-8(13)6-4-2-3-5-7(6)15-9(10,11)12/h2-5H,1H3
InChI Key:
VDJYJSUDISVNRS-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1OC(F)(F)F
Properties
Complexity:
227
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:
0
Isotope Atom Count:
0
Molecular Weight:
220.147g/mol
Monoisotopic Mass:
220.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^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.