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1190318-05-8

1190318-05-8 | 1H-Pyrrolo[2,3-b]pyridine, 3-chloro-5-nitro-

CAS No: 1190318-05-8 Catalog No: AG000HRX MDL No:

Product Description

Catalog Number:
AG000HRX
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 3-chloro-5-nitro-
CAS Number:
1190318-05-8
Molecular Formula:
C7H4ClN3O2
Molecular Weight:
197.5786
IUPAC Name:
3-chloro-5-nitro-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C7H4ClN3O2/c8-6-3-10-7-5(6)1-4(2-9-7)11(12)13/h1-3H,(H,9,10)
InChI Key:
URNOOJJDRGVAFT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2c(Cl)c[nH]c2nc1

Properties

Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.999g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.578g/mol
Monoisotopic Mass:
196.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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