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886769-00-2 | 1-BOC-3-(2,3-DICHLOROPHENYL)PIPERAZINE
CAS No: 886769-00-2 Catalog No: AG003E12 MDL No:MFCD08686118
Product Description
Catalog Number:
AG003E12
Chemical Name:
1-BOC-3-(2,3-DICHLOROPHENYL)PIPERAZINE
CAS Number:
886769-00-2
Molecular Formula:
C15H20Cl2N2O2
Molecular Weight:
331.2375
MDL Number:
MFCD08686118
IUPAC Name:
tert-butyl 3-(2,3-dichlorophenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C15H20Cl2N2O2/c1-15(2,3)21-14(20)19-8-7-18-12(9-19)10-5-4-6-11(16)13(10)17/h4-6,12,18H,7-9H2,1-3H3
InChI Key:
UQFCGECXOICQHY-UHFFFAOYSA-N
SMILES:
O=C(N1CCNC(C1)c1cccc(c1Cl)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
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