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Home > Nitro Compounds > 904818-42-4
904818-42-4 | 1-(2-Nitrophenyl)-3-phenylpiperazine, 95%
CAS No: 904818-42-4 Catalog No: AG003CVE MDL No:MFCD07371418
Product Description
Catalog Number:
AG003CVE
Chemical Name:
1-(2-Nitrophenyl)-3-phenylpiperazine, 95%
CAS Number:
904818-42-4
Molecular Formula:
C16H17N3O2
Molecular Weight:
283.3251
MDL Number:
MFCD07371418
IUPAC Name:
1-(2-nitrophenyl)-3-phenylpiperazine
InChI:
InChI=1S/C16H17N3O2/c20-19(21)16-9-5-4-8-15(16)18-11-10-17-14(12-18)13-6-2-1-3-7-13/h1-9,14,17H,10-12H2
InChI Key:
LWSPEGPKBZXBMF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1N1CCNC(C1)c1ccccc1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.132g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.331g/mol
Monoisotopic Mass:
283.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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