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1150618-15-7 | 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 5-nitro-
CAS No: 1150618-15-7 Catalog No: AG000FUD MDL No:MFCD12024470
Product Description
Catalog Number:
AG000FUD
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 5-nitro-
CAS Number:
1150618-15-7
Molecular Formula:
C8H5N3O4
Molecular Weight:
207.1430
MDL Number:
MFCD12024470
IUPAC Name:
5-nitro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
InChI:
InChI=1S/C8H5N3O4/c12-8(13)6-2-4-1-5(11(14)15)3-9-7(4)10-6/h1-3H,(H,9,10)(H,12,13)
InChI Key:
WYVYATUJBANZIN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c([nH]1)ncc(c2)[N+](=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:
1
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