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13754-45-5 | Methanone, (2-chlorophenyl)-1-piperazinyl-
CAS No: 13754-45-5 Catalog No: AG0013JC MDL No:MFCD04116574
Product Description
Catalog Number:
AG0013JC
Chemical Name:
Methanone, (2-chlorophenyl)-1-piperazinyl-
CAS Number:
13754-45-5
Molecular Formula:
C11H13ClN2O
Molecular Weight:
224.6867
MDL Number:
MFCD04116574
IUPAC Name:
(2-chlorophenyl)-piperazin-1-ylmethanone
InChI:
InChI=1S/C11H13ClN2O/c12-10-4-2-1-3-9(10)11(15)14-7-5-13-6-8-14/h1-4,13H,5-8H2
InChI Key:
UKXGHBPPSTVPJO-UHFFFAOYSA-N
SMILES:
Clc1ccccc1C(=O)N1CCNCC1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.688g/mol
Monoisotopic Mass:
224.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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