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Home > Nitro Compounds > 43103-81-7
43103-81-7 | 5-Nitro-1H-pyrrolo[2,3-b]pyridin-2(3H)-one
CAS No: 43103-81-7 Catalog No: AG00I8AP MDL No:MFCD12962917
Product Description
Catalog Number:
AG00I8AP
Chemical Name:
5-Nitro-1H-pyrrolo[2,3-b]pyridin-2(3H)-one
CAS Number:
43103-81-7
Molecular Formula:
C7H5N3O3
Molecular Weight:
179.1329
MDL Number:
MFCD12962917
IUPAC Name:
5-nitro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
InChI:
InChI=1S/C7H5N3O3/c11-6-2-4-1-5(10(12)13)3-8-7(4)9-6/h1,3H,2H2,(H,8,9,11)
InChI Key:
KBPJYTUKKDDTCS-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1)cc(cn2)[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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