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177752-92-0 | Benzene, 1-[(butylsulfinyl)methyl]-4-(chloromethyl)-2,5-dimethyl-
CAS No: 177752-92-0 Catalog No: AG0025IR MDL No:
Product Description
Catalog Number:
AG0025IR
Chemical Name:
Benzene, 1-[(butylsulfinyl)methyl]-4-(chloromethyl)-2,5-dimethyl-
CAS Number:
177752-92-0
Molecular Formula:
C14H21ClOS
Molecular Weight:
272.8339
IUPAC Name:
1-(butylsulfinylmethyl)-4-(chloromethyl)-2,5-dimethylbenzene
InChI:
InChI=1S/C14H21ClOS/c1-4-5-6-17(16)10-14-8-11(2)13(9-15)7-12(14)3/h7-8H,4-6,9-10H2,1-3H3
InChI Key:
LAPNLEUECBMIQI-UHFFFAOYSA-N
SMILES:
CCCCS(=O)Cc1cc(C)c(cc1C)CCl
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.831g/mol
Monoisotopic Mass:
272.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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