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1000340-42-0 | 1H-Pyrrolo[2,3-b]pyridin-3-amine, 4-nitro-
CAS No: 1000340-42-0 Catalog No: AG0000DS MDL No:
Product Description
Catalog Number:
AG0000DS
Chemical Name:
1H-Pyrrolo[2,3-b]pyridin-3-amine, 4-nitro-
CAS Number:
1000340-42-0
Molecular Formula:
C7H6N4O2
Molecular Weight:
178.1481
IUPAC Name:
4-nitro-1H-pyrrolo[2,3-b]pyridin-3-amine
InChI:
InChI=1S/C7H6N4O2/c8-4-3-10-7-6(4)5(11(12)13)1-2-9-7/h1-3H,8H2,(H,9,10)
InChI Key:
HLRALCNIBYRLDU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccnc2c1c(N)c[nH]2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.151g/mol
Monoisotopic Mass:
178.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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