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Home > Nitro Compounds > 1190318-29-6
1190318-29-6 | 1H-Pyrrolo[3,2-b]pyridine-5-carbonitrile, 3-nitro-
CAS No: 1190318-29-6 Catalog No: AG000HSW MDL No:
Product Description
Catalog Number:
AG000HSW
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-5-carbonitrile, 3-nitro-
CAS Number:
1190318-29-6
Molecular Formula:
C8H4N4O2
Molecular Weight:
188.1430
IUPAC Name:
3-nitro-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
InChI:
InChI=1S/C8H4N4O2/c9-3-5-1-2-6-8(11-5)7(4-10-6)12(13)14/h1-2,4,10H
InChI Key:
XEDHZYVTCKNIGP-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(n1)c(c[nH]2)[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:
0.9
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