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1190318-95-6

1190318-95-6 | 1H-Pyrrolo[2,3-b]pyridine-6-carbonitrile, 3-chloro-

CAS No: 1190318-95-6 Catalog No: AG000P5A MDL No:

Product Description

Catalog Number:
AG000P5A
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-6-carbonitrile, 3-chloro-
CAS Number:
1190318-95-6
Molecular Formula:
C8H4ClN3
Molecular Weight:
177.5905
IUPAC Name:
3-chloro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
InChI:
InChI=1S/C8H4ClN3/c9-7-4-11-8-6(7)2-1-5(3-10)12-8/h1-2,4H,(H,11,12)
InChI Key:
LIULOSFYQUUZHA-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(n1)[nH]cc2Cl

Properties

Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.009g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.591g/mol
Monoisotopic Mass:
177.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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