200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 1363382-26-6
1363382-26-6 | Carbamic acid, N-[2-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-2-oxoethyl]-, phenylmethyl ester
CAS No: 1363382-26-6 Catalog No: AG0011Q2 MDL No:MFCD19707642
Product Description
Catalog Number:
AG0011Q2
Chemical Name:
Carbamic acid, N-[2-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-2-oxoethyl]-, phenylmethyl ester
CAS Number:
1363382-26-6
Molecular Formula:
C19H15F6NO3
Molecular Weight:
419.3177
MDL Number:
MFCD19707642
IUPAC Name:
benzyl N-[1-[3,5-bis(trifluoromethyl)phenyl]-1-oxopropan-2-yl]carbamate
InChI:
InChI=1S/C19H15F6NO3/c1-11(26-17(28)29-10-12-5-3-2-4-6-12)16(27)13-7-14(18(20,21)22)9-15(8-13)19(23,24)25/h2-9,11H,10H2,1H3,(H,26,28)
InChI Key:
ICVQXOOPOAIZIA-UHFFFAOYSA-N
SMILES:
O=C(NC(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)OCc1ccccc1
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.096g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
419.323g/mol
Monoisotopic Mass:
419.096g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.