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86927-99-3 | (3-diethylaminophenyl) N-[3-(trifluoromethyl)phenyl]carbamate
CAS No: 86927-99-3 Catalog No: AG004I56 MDL No:
Product Description
Catalog Number:
AG004I56
Chemical Name:
(3-diethylaminophenyl) N-[3-(trifluoromethyl)phenyl]carbamate
CAS Number:
86927-99-3
Molecular Formula:
C18H19F3N2O2
Molecular Weight:
352.3509
IUPAC Name:
[3-(diethylamino)phenyl] N-[3-(trifluoromethyl)phenyl]carbamate
InChI:
InChI=1S/C18H19F3N2O2/c1-3-23(4-2)15-9-6-10-16(12-15)25-17(24)22-14-8-5-7-13(11-14)18(19,20)21/h5-12H,3-4H2,1-2H3,(H,22,24)
InChI Key:
ODHNGPQWAMSPCZ-UHFFFAOYSA-N
SMILES:
CCN(c1cccc(c1)OC(=O)Nc1cccc(c1)C(F)(F)F)CC
NSC Number:
379461
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.14g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.357g/mol
Monoisotopic Mass:
352.14g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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