200,000+ products from a single source!
sales@angenechem.com
14061-27-9 | Phenol, 3-(trifluoromethyl)-, 1-(N-methylcarbamate)
CAS No: 14061-27-9 Catalog No: AG001CKL MDL No:
Product Description
Catalog Number:
AG001CKL
Chemical Name:
Phenol, 3-(trifluoromethyl)-, 1-(N-methylcarbamate)
CAS Number:
14061-27-9
Molecular Formula:
C9H8F3NO2
Molecular Weight:
219.1605
IUPAC Name:
[3-(trifluoromethyl)phenyl] N-methylcarbamate
InChI:
InChI=1S/C9H8F3NO2/c1-13-8(14)15-7-4-2-3-6(5-7)9(10,11)12/h2-5H,1H3,(H,13,14)
InChI Key:
AYGHMOAVPPSNPY-UHFFFAOYSA-N
SMILES:
CNC(=O)Oc1cccc(c1)C(F)(F)F
NSC Number:
107928
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.163g/mol
Monoisotopic Mass:
219.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.