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Home > Nitro Compounds > 885101-42-8
885101-42-8 | (2-nitrophenyl)-1-piperazinylmethanone
CAS No: 885101-42-8 Catalog No: AG00H456 MDL No:MFCD08442997
Product Description
Catalog Number:
AG00H456
Chemical Name:
(2-nitrophenyl)-1-piperazinylmethanone
CAS Number:
885101-42-8
Molecular Formula:
C11H13N3O3
Molecular Weight:
235.2392
MDL Number:
MFCD08442997
IUPAC Name:
(2-nitrophenyl)-piperazin-1-ylmethanone
InChI:
InChI=1S/C11H13N3O3/c15-11(13-7-5-12-6-8-13)9-3-1-2-4-10(9)14(16)17/h1-4,12H,5-8H2
InChI Key:
MFGWKYNLNOWMRZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1[N+](=O)[O-])N1CCNCC1
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.243g/mol
Monoisotopic Mass:
235.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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