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Home > Nitro Compounds > 1190320-48-9
1190320-48-9 | 1H-Pyrrolo[3,2-b]pyridine-6-carbonitrile, 3-nitro-
CAS No: 1190320-48-9 Catalog No: AG000HXJ MDL No:
Product Description
Catalog Number:
AG000HXJ
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-6-carbonitrile, 3-nitro-
CAS Number:
1190320-48-9
Molecular Formula:
C8H4N4O2
Molecular Weight:
188.1430
IUPAC Name:
3-nitro-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile
InChI:
InChI=1S/C8H4N4O2/c9-2-5-1-6-8(11-3-5)7(4-10-6)12(13)14/h1,3-4,10H
InChI Key:
VOPWOZFJHBFVKJ-UHFFFAOYSA-N
SMILES:
N#Cc1cnc2c(c1)[nH]cc2[N+](=O)[O-]
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.146g/mol
Monoisotopic Mass:
188.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
98.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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