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101970-40-5

101970-40-5 | Ethanone, 1-[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-

CAS No: 101970-40-5 Catalog No: AG00064V MDL No:MFCD01895952

Product Description

Catalog Number:
AG00064V
Chemical Name:
Ethanone, 1-[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-
CAS Number:
101970-40-5
Molecular Formula:
C12H14ClN3O3
Molecular Weight:
283.7109
MDL Number:
MFCD01895952
IUPAC Name:
1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]ethanone
InChI:
InChI=1S/C12H14ClN3O3/c1-9(17)14-4-6-15(7-5-14)12-3-2-10(16(18)19)8-11(12)13/h2-3,8H,4-7H2,1H3
InChI Key:
OFCJTLZYBAMNSC-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCN(CC1)c1ccc(cc1Cl)[N+](=O)[O-]

Properties

Complexity:
353  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.072g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.712g/mol
Monoisotopic Mass:
283.072g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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