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183500-94-9 | 2-Piperazinone, 1-(3-chlorophenyl)-, hydrochloride (1:1)
CAS No: 183500-94-9 Catalog No: AG0027MR MDL No:MFCD09027310
Product Description
Catalog Number:
AG0027MR
Chemical Name:
2-Piperazinone, 1-(3-chlorophenyl)-, hydrochloride (1:1)
CAS Number:
183500-94-9
Molecular Formula:
C10H12Cl2N2O
Molecular Weight:
247.1211
MDL Number:
MFCD09027310
IUPAC Name:
1-(3-chlorophenyl)piperazin-2-one;hydrochloride
InChI:
InChI=1S/C10H11ClN2O.ClH/c11-8-2-1-3-9(6-8)13-5-4-12-7-10(13)14;/h1-3,6,12H,4-5,7H2;1H
InChI Key:
NZULMVLNYMMNLJ-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)N1CCNCC1=O.Cl
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.033g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.119g/mol
Monoisotopic Mass:
246.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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