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Home > Nitro Compounds > 1315367-97-5
1315367-97-5 | tert-butyl N-(7-nitro-1,2,3,4-tetrahydroquinolin-4-yl)carbamate
CAS No: 1315367-97-5 Catalog No: AG01AJDO MDL No:MFCD19382237
Product Description
Catalog Number:
AG01AJDO
Chemical Name:
tert-butyl N-(7-nitro-1,2,3,4-tetrahydroquinolin-4-yl)carbamate
CAS Number:
1315367-97-5
Molecular Formula:
C14H19N3O4
Molecular Weight:
293.3184
MDL Number:
MFCD19382237
IUPAC Name:
tert-butyl N-(7-nitro-1,2,3,4-tetrahydroquinolin-4-yl)carbamate
InChI:
InChI=1S/C14H19N3O4/c1-14(2,3)21-13(18)16-11-6-7-15-12-8-9(17(19)20)4-5-10(11)12/h4-5,8,11,15H,6-7H2,1-3H3,(H,16,18)
InChI Key:
YWKRCQVAIANCLC-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCNc2c1ccc(c2)[N+](=O)[O-]
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.138g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
293.323g/mol
Monoisotopic Mass:
293.138g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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