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246236-63-5 | Benzenesulfonamide, N-(2-bromoethyl)-4-(1,1-dimethylethyl)-
CAS No: 246236-63-5 Catalog No: AG002OUD MDL No:MFCD00829019
Product Description
Catalog Number:
AG002OUD
Chemical Name:
Benzenesulfonamide, N-(2-bromoethyl)-4-(1,1-dimethylethyl)-
CAS Number:
246236-63-5
Molecular Formula:
C12H18BrNO2S
Molecular Weight:
320.2458
MDL Number:
MFCD00829019
IUPAC Name:
N-(2-bromoethyl)-4-tert-butylbenzenesulfonamide
InChI:
InChI=1S/C12H18BrNO2S/c1-12(2,3)10-4-6-11(7-5-10)17(15,16)14-9-8-13/h4-7,14H,8-9H2,1-3H3
InChI Key:
SYRLPOFMWFJDIY-UHFFFAOYSA-N
SMILES:
BrCCNS(=O)(=O)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.024g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.245g/mol
Monoisotopic Mass:
319.024g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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