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1167056-11-2 | 1H-Pyrrolo[2,3-c]pyridine, 3-chloro-5-nitro-
CAS No: 1167056-11-2 Catalog No: AG000D2G MDL No:MFCD12405102
Product Description
Catalog Number:
AG000D2G
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine, 3-chloro-5-nitro-
CAS Number:
1167056-11-2
Molecular Formula:
C7H4ClN3O2
Molecular Weight:
197.5786
MDL Number:
MFCD12405102
IUPAC Name:
3-chloro-5-nitro-1H-pyrrolo[2,3-c]pyridine
InChI:
InChI=1S/C7H4ClN3O2/c8-5-2-9-6-3-10-7(11(12)13)1-4(5)6/h1-3,9H
InChI Key:
TXNLKZBXMPRLAS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2c(Cl)c[nH]c2cn1
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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