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1000340-52-2

1000340-52-2 | 1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile, 3-nitro-

CAS No: 1000340-52-2 Catalog No: AG0000EW MDL No:

Product Description

Catalog Number:
AG0000EW
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile, 3-nitro-
CAS Number:
1000340-52-2
Molecular Formula:
C8H4N4O2
Molecular Weight:
188.1430
IUPAC Name:
3-nitro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
InChI:
InChI=1S/C8H4N4O2/c9-3-5-1-2-10-8-7(5)6(4-11-8)12(13)14/h1-2,4H,(H,10,11)
InChI Key:
AWYHBXNFPVDIEC-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc2c1c(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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