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1167056-19-0 | 1H-Pyrrolo[2,3-c]pyridine, 5-chloro-3-nitro-
CAS No: 1167056-19-0 Catalog No: AG000D29 MDL No:MFCD12405158
Product Description
Catalog Number:
AG000D29
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine, 5-chloro-3-nitro-
CAS Number:
1167056-19-0
Molecular Formula:
C7H4ClN3O2
Molecular Weight:
197.5786
MDL Number:
MFCD12405158
IUPAC Name:
5-chloro-3-nitro-1H-pyrrolo[2,3-c]pyridine
InChI:
InChI=1S/C7H4ClN3O2/c8-7-1-4-5(2-10-7)9-3-6(4)11(12)13/h1-3,9H
InChI Key:
XJNBRTKNXJRBBE-UHFFFAOYSA-N
SMILES:
Clc1ncc2c(c1)c(c[nH]2)[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:
1.8
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