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Home > Nitro Compounds > 1008139-18-1
1008139-18-1 | Carbamic acid, N-(2-methyl-5-nitro-3-pyridinyl)-, 1,1-dimethylethyl ester
CAS No: 1008139-18-1 Catalog No: AG0002XI MDL No:
Product Description
Catalog Number:
AG0002XI
Chemical Name:
Carbamic acid, N-(2-methyl-5-nitro-3-pyridinyl)-, 1,1-dimethylethyl ester
CAS Number:
1008139-18-1
Molecular Formula:
C11H15N3O4
Molecular Weight:
253.2545
IUPAC Name:
tert-butyl N-(2-methyl-5-nitropyridin-3-yl)carbamate
InChI:
InChI=1S/C11H15N3O4/c1-7-9(5-8(6-12-7)14(16)17)13-10(15)18-11(2,3)4/h5-6H,1-4H3,(H,13,15)
InChI Key:
BOOVJRCGLILENB-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(cnc1C)[N+](=O)[O-])OC(C)(C)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.258g/mol
Monoisotopic Mass:
253.106g/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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