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1190311-54-6 | 1H-Pyrrolo[3,2-b]pyridine, 6-chloro-3-nitro-
CAS No: 1190311-54-6 Catalog No: AG000HIH MDL No:
Product Description
Catalog Number:
AG000HIH
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine, 6-chloro-3-nitro-
CAS Number:
1190311-54-6
Molecular Formula:
C7H4ClN3O2
Molecular Weight:
197.5786
IUPAC Name:
6-chloro-3-nitro-1H-pyrrolo[3,2-b]pyridine
InChI:
InChI=1S/C7H4ClN3O2/c8-4-1-5-7(10-2-4)6(3-9-5)11(12)13/h1-3,9H
InChI Key:
IMHUZPXBAAAWKC-UHFFFAOYSA-N
SMILES:
Clc1cnc2c(c1)[nH]cc2[N+](=O)[O-]
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:
1.5
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