Home Halogens 1-Boc-3-(3,4-dichlorophenyl)piperazine

1-Boc-3-(3,4-dichlorophenyl)piperazine

CAS No.:
185110-16-1
Catalog Number:
AG003E13
Molecular Formula:
C15H20Cl2N2O2
Molecular Weight:
331.2375
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Product Description
Catalog Number:
AG003E13
Chemical Name:
1-Boc-3-(3,4-dichlorophenyl)piperazine
CAS Number:
185110-16-1
Molecular Formula:
C15H20Cl2N2O2
Molecular Weight:
331.2375
MDL Number:
MFCD04038531
IUPAC Name:
tert-butyl 3-(3,4-dichlorophenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C15H20Cl2N2O2/c1-15(2,3)21-14(20)19-7-6-18-13(9-19)10-4-5-11(16)12(17)8-10/h4-5,8,13,18H,6-7,9H2,1-3H3
InChI Key:
ADEHFOWFGHHJGT-UHFFFAOYSA-N
SMILES:
O=C(N1CCNC(C1)c1ccc(c(c1)Cl)Cl)OC(C)(C)C
Properties
Complexity:
373  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.09g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
331.237g/mol
Monoisotopic Mass:
330.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties