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1693705-25-7 | tert-butyl N-{2-[(3-nitrophenyl)amino]ethyl}carbamate
CAS No: 1693705-25-7 Catalog No: AG01FOOJ MDL No:
Product Description
Catalog Number:
AG01FOOJ
Chemical Name:
tert-butyl N-{2-[(3-nitrophenyl)amino]ethyl}carbamate
CAS Number:
1693705-25-7
IUPAC Name:
tert-butyl N-[2-(3-nitroanilino)ethyl]carbamate
InChI:
InChI=1S/C13H19N3O4/c1-13(2,3)20-12(17)15-8-7-14-10-5-4-6-11(9-10)16(18)19/h4-6,9,14H,7-8H2,1-3H3,(H,15,17)
InChI Key:
ICNBKTRXFDXOAN-UHFFFAOYSA-N
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.138g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.312g/mol
Monoisotopic Mass:
281.138g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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