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1187385-78-9 | 1-((4-Bromophenyl);sulfonyl);-4-isobutylpiperazine
CAS No: 1187385-78-9 Catalog No: AG003CS3 MDL No:MFCD12913974
Product Description
Catalog Number:
AG003CS3
Chemical Name:
1-((4-Bromophenyl);sulfonyl);-4-isobutylpiperazine
CAS Number:
1187385-78-9
Molecular Formula:
C14H21BrN2O2S
Molecular Weight:
361.2977
MDL Number:
MFCD12913974
IUPAC Name:
1-(4-bromophenyl)sulfonyl-4-(2-methylpropyl)piperazine
InChI:
InChI=1S/C14H21BrN2O2S/c1-12(2)11-16-7-9-17(10-8-16)20(18,19)14-5-3-13(15)4-6-14/h3-6,12H,7-11H2,1-2H3
InChI Key:
LARLQVYZLIPIBV-UHFFFAOYSA-N
SMILES:
CC(CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)C
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.051g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.298g/mol
Monoisotopic Mass:
360.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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