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99057-15-5 | 2-Bromo-4-tert-butylbenzenesulfonyl chloride
CAS No: 99057-15-5 Catalog No: AG01F08W MDL No:MFCD12026174
Product Description
Catalog Number:
AG01F08W
Chemical Name:
2-Bromo-4-tert-butylbenzenesulfonyl chloride
CAS Number:
99057-15-5
Molecular Formula:
C10H12BrClO2S
Molecular Weight:
311.6231
MDL Number:
MFCD12026174
IUPAC Name:
2-bromo-4-tert-butylbenzenesulfonyl chloride
InChI:
InChI=1S/C10H12BrClO2S/c1-10(2,3)7-4-5-9(8(11)6-7)15(12,13)14/h4-6H,1-3H3
InChI Key:
QEVSESBFSRTADZ-UHFFFAOYSA-N
SMILES:
Brc1cc(ccc1S(=O)(=O)Cl)C(C)(C)C
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.943g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.618g/mol
Monoisotopic Mass:
309.943g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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