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138042-49-6 | Benzene, 1-[(1-bromobutyl)sulfinyl]-4-methyl-
CAS No: 138042-49-6 Catalog No: AG0017WP MDL No:
Product Description
Catalog Number:
AG0017WP
Chemical Name:
Benzene, 1-[(1-bromobutyl)sulfinyl]-4-methyl-
CAS Number:
138042-49-6
Molecular Formula:
C11H15BrOS
Molecular Weight:
275.2052
IUPAC Name:
1-(1-bromobutylsulfinyl)-4-methylbenzene
InChI:
InChI=1S/C11H15BrOS/c1-3-4-11(12)14(13)10-7-5-9(2)6-8-10/h5-8,11H,3-4H2,1-2H3
InChI Key:
WUVFVIGROYUWEY-UHFFFAOYSA-N
SMILES:
CCCC(S(=O)c1ccc(cc1)C)Br
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.003g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.204g/mol
Monoisotopic Mass:
274.003g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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