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Home > Nitro Compounds > 175652-25-2
175652-25-2 | Carbamic acid, (2-nitro-3-pyridinyl)-, methyl ester (9CI)
CAS No: 175652-25-2 Catalog No: AG002137 MDL No:
Product Description
Catalog Number:
AG002137
Chemical Name:
Carbamic acid, (2-nitro-3-pyridinyl)-, methyl ester (9CI)
CAS Number:
175652-25-2
Molecular Formula:
C7H7N3O4
Molecular Weight:
197.1482
IUPAC Name:
methyl N-(2-nitropyridin-3-yl)carbamate
InChI:
InChI=1S/C7H7N3O4/c1-14-7(11)9-5-3-2-4-8-6(5)10(12)13/h2-4H,1H3,(H,9,11)
InChI Key:
CEJAPMJGQRDGRU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ncccc1NC(=O)OC
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.044g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.15g/mol
Monoisotopic Mass:
197.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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