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121433-19-0 | Carbamic acid, [4-(trifluoromethyl)phenyl]-, propyl ester (9CI)
CAS No: 121433-19-0 Catalog No: AG0014ST MDL No:
Product Description
Catalog Number:
AG0014ST
Chemical Name:
Carbamic acid, [4-(trifluoromethyl)phenyl]-, propyl ester (9CI)
CAS Number:
121433-19-0
Molecular Formula:
C11H12F3NO2
Molecular Weight:
247.2137
IUPAC Name:
propyl N-[4-(trifluoromethyl)phenyl]carbamate
InChI:
InChI=1S/C11H12F3NO2/c1-2-7-17-10(16)15-9-5-3-8(4-6-9)11(12,13)14/h3-6H,2,7H2,1H3,(H,15,16)
InChI Key:
RCNRGKSXVMLAIC-UHFFFAOYSA-N
SMILES:
CCCOC(=O)Nc1ccc(cc1)C(F)(F)F
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.217g/mol
Monoisotopic Mass:
247.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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