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Home > Nitro Compounds > 341529-34-8
341529-34-8 | Piperazine, 1-(3-nitrobenzoyl)-
CAS No: 341529-34-8 Catalog No: AG00I6QZ MDL No:MFCD04116576
Product Description
Catalog Number:
AG00I6QZ
Chemical Name:
Piperazine, 1-(3-nitrobenzoyl)-
CAS Number:
341529-34-8
Molecular Formula:
C11H13N3O3
Molecular Weight:
235.2392
MDL Number:
MFCD04116576
IUPAC Name:
(3-nitrophenyl)-piperazin-1-ylmethanone
InChI:
InChI=1S/C11H13N3O3/c15-11(13-6-4-12-5-7-13)9-2-1-3-10(8-9)14(16)17/h1-3,8,12H,4-7H2
InChI Key:
RTCPOEOGSICKJP-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[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:
0.6
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