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Home > Nitro Compounds > 1638763-65-1
1638763-65-1 | 2H-Pyrrolo[2,3-b]pyridin-2-one, 1,3-dihydro-4-nitro-
CAS No: 1638763-65-1 Catalog No: AG001UH3 MDL No:MFCD27987508
Product Description
Catalog Number:
AG001UH3
Chemical Name:
2H-Pyrrolo[2,3-b]pyridin-2-one, 1,3-dihydro-4-nitro-
CAS Number:
1638763-65-1
Molecular Formula:
C7H5N3O3
Molecular Weight:
179.1329
MDL Number:
MFCD27987508
IUPAC Name:
4-nitro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
InChI:
InChI=1S/C7H5N3O3/c11-6-3-4-5(10(12)13)1-2-8-7(4)9-6/h1-2H,3H2,(H,8,9,11)
InChI Key:
WTLDHOARMFFBIQ-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1)c(ccn2)[N+](=O)[O-]
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.033g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.135g/mol
Monoisotopic Mass:
179.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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