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1000340-44-2 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 4-nitro-
CAS No: 1000340-44-2 Catalog No: AG0000DQ MDL No:
Product Description
Catalog Number:
AG0000DQ
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 4-nitro-
CAS Number:
1000340-44-2
Molecular Formula:
C8H5N3O4
Molecular Weight:
207.1430
IUPAC Name:
4-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H5N3O4/c12-8(13)4-3-10-7-6(4)5(11(14)15)1-2-9-7/h1-3H,(H,9,10)(H,12,13)
InChI Key:
GLWOBXJVRRKBED-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccnc2c1c(c[nH]2)C(=O)O
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.145g/mol
Monoisotopic Mass:
207.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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