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127356-39-2 | 4-Pyridinamine, 3-methoxy-5-nitro-
CAS No: 127356-39-2 Catalog No: AG000WXN MDL No:
Product Description
Catalog Number:
AG000WXN
Chemical Name:
4-Pyridinamine, 3-methoxy-5-nitro-
CAS Number:
127356-39-2
Molecular Formula:
C6H7N3O3
Molecular Weight:
169.1381
IUPAC Name:
3-methoxy-5-nitropyridin-4-amine
InChI:
InChI=1S/C6H7N3O3/c1-12-5-3-8-2-4(6(5)7)9(10)11/h2-3H,1H3,(H2,7,8)
InChI Key:
BDMJYKJWWPPVPN-UHFFFAOYSA-N
SMILES:
COc1cncc(c1N)[N+](=O)[O-]
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.14g/mol
Monoisotopic Mass:
169.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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