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Home > Nitro Compounds > 1632286-28-2
1632286-28-2 | Pyrrolo[1,2-a]pyrazin-1(2H)-one, 7-nitro-
CAS No: 1632286-28-2 Catalog No: AG001TXD MDL No:
Product Description
Catalog Number:
AG001TXD
Chemical Name:
Pyrrolo[1,2-a]pyrazin-1(2H)-one, 7-nitro-
CAS Number:
1632286-28-2
Molecular Formula:
C7H5N3O3
Molecular Weight:
179.1329
IUPAC Name:
7-nitro-2H-pyrrolo[1,2-a]pyrazin-1-one
InChI:
InChI=1S/C7H5N3O3/c11-7-6-3-5(10(12)13)4-9(6)2-1-8-7/h1-4H,(H,8,11)
InChI Key:
ZMMALYZUVYGNIG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn2c(c1)c(=O)[nH]cc2
Properties
Complexity:
283
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:
3
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:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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