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1190312-12-9 | 1H-Pyrrolo[3,2-b]pyridin-6-amine, 3-nitro-
CAS No: 1190312-12-9 Catalog No: AG000HJ1 MDL No:
Product Description
Catalog Number:
AG000HJ1
Chemical Name:
1H-Pyrrolo[3,2-b]pyridin-6-amine, 3-nitro-
CAS Number:
1190312-12-9
Molecular Formula:
C7H6N4O2
Molecular Weight:
178.1481
IUPAC Name:
3-nitro-1H-pyrrolo[3,2-b]pyridin-6-amine
InChI:
InChI=1S/C7H6N4O2/c8-4-1-5-7(10-2-4)6(3-9-5)11(12)13/h1-3,9H,8H2
InChI Key:
HUHOARLBDHPXRY-UHFFFAOYSA-N
SMILES:
Nc1cnc2c(c1)[nH]cc2[N+](=O)[O-]
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:
0.2
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