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1420670-57-0 | Carbamic acid, N-[4-(aminomethyl)-3-(trifluoromethoxy)phenyl]-, 1,1-dimethylethyl ester
CAS No: 1420670-57-0 Catalog No: AG001HOA MDL No:
Product Description
Catalog Number:
AG001HOA
Chemical Name:
Carbamic acid, N-[4-(aminomethyl)-3-(trifluoromethoxy)phenyl]-, 1,1-dimethylethyl ester
CAS Number:
1420670-57-0
Molecular Formula:
C13H17F3N2O3
Molecular Weight:
306.2809
IUPAC Name:
tert-butyl N-[4-(aminomethyl)-3-(trifluoromethoxy)phenyl]carbamate
InChI:
InChI=1S/C13H17F3N2O3/c1-12(2,3)21-11(19)18-9-5-4-8(7-17)10(6-9)20-13(14,15)16/h4-6H,7,17H2,1-3H3,(H,18,19)
InChI Key:
JERMHLUIDIQVJR-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1OC(F)(F)F)NC(=O)OC(C)(C)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.119g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.285g/mol
Monoisotopic Mass:
306.119g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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