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1144037-37-5

1144037-37-5 | 1-Piperazinecarboxylic acid, (3,5-dichlorophenyl)methyl ester

CAS No: 1144037-37-5 Catalog No: AG000B8S MDL No:MFCD22384788

Product Description

Catalog Number:
AG000B8S
Chemical Name:
1-Piperazinecarboxylic acid, (3,5-dichlorophenyl)methyl ester
CAS Number:
1144037-37-5
Molecular Formula:
C12H14Cl2N2O2
Molecular Weight:
289.1578
MDL Number:
MFCD22384788
IUPAC Name:
(3,5-dichlorophenyl)methyl piperazine-1-carboxylate
InChI:
InChI=1S/C12H14Cl2N2O2/c13-10-5-9(6-11(14)7-10)8-18-12(17)16-3-1-15-2-4-16/h5-7,15H,1-4,8H2
InChI Key:
RBPSRPYEBWMAGK-UHFFFAOYSA-N
SMILES:
O=C(N1CCNCC1)OCc1cc(Cl)cc(c1)Cl

Properties

Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.043g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
289.156g/mol
Monoisotopic Mass:
288.043g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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