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823813-07-6 | 1-Piperazinecarboxylic acid, 4-(2-chloroethyl)-, methyl ester
CAS No: 823813-07-6 Catalog No: AG004Y0E MDL No:
Product Description
Catalog Number:
AG004Y0E
Chemical Name:
1-Piperazinecarboxylic acid, 4-(2-chloroethyl)-, methyl ester
CAS Number:
823813-07-6
Molecular Formula:
C8H15ClN2O2
Molecular Weight:
206.6699
IUPAC Name:
methyl 4-(2-chloroethyl)piperazine-1-carboxylate
InChI:
InChI=1S/C8H15ClN2O2/c1-13-8(12)11-6-4-10(3-2-9)5-7-11/h2-7H2,1H3
InChI Key:
QHDDUYDFSHNGIA-UHFFFAOYSA-N
SMILES:
ClCCN1CCN(CC1)C(=O)OC
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.082g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.67g/mol
Monoisotopic Mass:
206.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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