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Home Sulfos 4-(3-Bromo-benzenesulfonyl)-piperazine-1-carboxylic acid tert-butyl ester

4-(3-Bromo-benzenesulfonyl)-piperazine-1-carboxylic acid tert-butyl ester

CAS No.:
937014-80-7
Catalog Number:
AG00GUWR
Molecular Formula:
C15H21BrN2O4S
Molecular Weight:
405.3072
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$25
- +
5g
98%
In Stock USA
United States
$100
- +
25g
98%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG00GUWR
Chemical Name:
4-(3-Bromo-benzenesulfonyl)-piperazine-1-carboxylic acid tert-butyl ester
CAS Number:
937014-80-7
Molecular Formula:
C15H21BrN2O4S
Molecular Weight:
405.3072
MDL Number:
MFCD12024910
IUPAC Name:
tert-butyl 4-(3-bromophenyl)sulfonylpiperazine-1-carboxylate
InChI:
InChI=1S/C15H21BrN2O4S/c1-15(2,3)22-14(19)17-7-9-18(10-8-17)23(20,21)13-6-4-5-12(16)11-13/h4-6,11H,7-10H2,1-3H3
InChI Key:
OCPBBZQADAOTDT-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
519  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.041g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
405.307g/mol
Monoisotopic Mass:
404.041g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties