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88408-87-1 | 1-Butanol, 4-[(4-chlorophenyl)sulfonyl]-3-methyl-
CAS No: 88408-87-1 Catalog No: AG004KZ4 MDL No:
Product Description
Catalog Number:
AG004KZ4
Chemical Name:
1-Butanol, 4-[(4-chlorophenyl)sulfonyl]-3-methyl-
CAS Number:
88408-87-1
Molecular Formula:
C11H15ClO3S
Molecular Weight:
262.7530
IUPAC Name:
4-(4-chlorophenyl)sulfonyl-3-methylbutan-1-ol
InChI:
InChI=1S/C11H15ClO3S/c1-9(6-7-13)8-16(14,15)11-4-2-10(12)3-5-11/h2-5,9,13H,6-8H2,1H3
InChI Key:
SAXPBPYAUOFJSO-UHFFFAOYSA-N
SMILES:
OCCC(CS(=O)(=O)c1ccc(cc1)Cl)C
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.043g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.748g/mol
Monoisotopic Mass:
262.043g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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