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141763-00-0 | Benzene, 1-bromo-2,4-dimethyl-5-(methylsulfonyl)-
CAS No: 141763-00-0 Catalog No: AG001H0T MDL No:
Product Description
Catalog Number:
AG001H0T
Chemical Name:
Benzene, 1-bromo-2,4-dimethyl-5-(methylsulfonyl)-
CAS Number:
141763-00-0
Molecular Formula:
C9H11BrO2S
Molecular Weight:
263.1514
IUPAC Name:
1-bromo-2,4-dimethyl-5-methylsulfonylbenzene
InChI:
InChI=1S/C9H11BrO2S/c1-6-4-7(2)9(5-8(6)10)13(3,11)12/h4-5H,1-3H3
InChI Key:
UBKIGLHFYOSPKH-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(cc1S(=O)(=O)C)Br
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.966g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.149g/mol
Monoisotopic Mass:
261.966g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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