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Home > Nitro Compounds > 161117-88-0
161117-88-0 | Carbamic acid, N-(5-nitro-2-pyridinyl)-, 1,1-dimethylethyl ester
CAS No: 161117-88-0 Catalog No: AG001S6W MDL No:MFCD11977408
Product Description
Catalog Number:
AG001S6W
Chemical Name:
Carbamic acid, N-(5-nitro-2-pyridinyl)-, 1,1-dimethylethyl ester
CAS Number:
161117-88-0
Molecular Formula:
C10H13N3O4
Molecular Weight:
239.2279
MDL Number:
MFCD11977408
IUPAC Name:
tert-butyl N-(5-nitropyridin-2-yl)carbamate
InChI:
InChI=1S/C10H13N3O4/c1-10(2,3)17-9(14)12-8-5-4-7(6-11-8)13(15)16/h4-6H,1-3H3,(H,11,12,14)
InChI Key:
WIRMJKZHSYNQDD-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc(cn1)[N+](=O)[O-]
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.091g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.231g/mol
Monoisotopic Mass:
239.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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