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183208-28-8 | 3-(2-nitroethenyl)-1H-pyrrolo[2,3-b]pyridine
CAS No: 183208-28-8 Catalog No: AG01A63H MDL No:MFCD21648942
Product Description
Catalog Number:
AG01A63H
Chemical Name:
3-(2-nitroethenyl)-1H-pyrrolo[2,3-b]pyridine
CAS Number:
183208-28-8
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD21648942
IUPAC Name:
3-[(E)-2-nitroethenyl]-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C9H7N3O2/c13-12(14)5-3-7-6-11-9-8(7)2-1-4-10-9/h1-6H,(H,10,11)/b5-3+
InChI Key:
JWGKSDIHBMBDEO-HWKANZROSA-N
SMILES:
[O-][N+](=O)C=Cc1c[nH]c2c1cccn2
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
189.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.174g/mol
Monoisotopic Mass:
189.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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