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25948-15-6 | Ethanol, 2-[methyl(5-nitro-2-pyridinyl)amino]-
CAS No: 25948-15-6 Catalog No: AG002R5Q MDL No:
Product Description
Catalog Number:
AG002R5Q
Chemical Name:
Ethanol, 2-[methyl(5-nitro-2-pyridinyl)amino]-
CAS Number:
25948-15-6
Molecular Formula:
C8H11N3O3
Molecular Weight:
197.1912
IUPAC Name:
2-[methyl-(5-nitropyridin-2-yl)amino]ethanol
InChI:
InChI=1S/C8H11N3O3/c1-10(4-5-12)8-3-2-7(6-9-8)11(13)14/h2-3,6,12H,4-5H2,1H3
InChI Key:
JMCDFZGHBZLEAP-UHFFFAOYSA-N
SMILES:
OCCN(c1ccc(cn1)[N+](=O)[O-])C
EC Number:
247-359-1
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.194g/mol
Monoisotopic Mass:
197.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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