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1245645-97-9 | 1H-Pyrrolo[2,3-b]pyridine, 4-chloro-5-nitro-
CAS No: 1245645-97-9 Catalog No: AG000MAD MDL No:MFCD18072769
Product Description
Catalog Number:
AG000MAD
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 4-chloro-5-nitro-
CAS Number:
1245645-97-9
Molecular Formula:
C7H4ClN3O2
Molecular Weight:
197.5786
MDL Number:
MFCD18072769
IUPAC Name:
4-chloro-5-nitro-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C7H4ClN3O2/c8-6-4-1-2-9-7(4)10-3-5(6)11(12)13/h1-3H,(H,9,10)
InChI Key:
WOFUUJSVPQZPIH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc2c(c1Cl)cc[nH]2
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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