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141940-36-5 | Carbamic acid, N-[2-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl ester
CAS No: 141940-36-5 Catalog No: AG001HES MDL No:MFCD17015724
Product Description
Catalog Number:
AG001HES
Chemical Name:
Carbamic acid, N-[2-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl ester
CAS Number:
141940-36-5
Molecular Formula:
C12H14F3NO2
Molecular Weight:
261.2403
MDL Number:
MFCD17015724
IUPAC Name:
tert-butyl N-[2-(trifluoromethyl)phenyl]carbamate
InChI:
InChI=1S/C12H14F3NO2/c1-11(2,3)18-10(17)16-9-7-5-4-6-8(9)12(13,14)15/h4-7H,1-3H3,(H,16,17)
InChI Key:
IFKDQZIJKAZBPO-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccccc1C(F)(F)F
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.098g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.244g/mol
Monoisotopic Mass:
261.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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