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14633-31-9 | Benzene, [(4-chlorobutyl)thio]-
CAS No: 14633-31-9 Catalog No: AG001DX5 MDL No:MFCD16090619
Product Description
Catalog Number:
AG001DX5
Chemical Name:
Benzene, [(4-chlorobutyl)thio]-
CAS Number:
14633-31-9
Molecular Formula:
C10H13ClS
Molecular Weight:
200.7282
MDL Number:
MFCD16090619
IUPAC Name:
4-chlorobutylsulfanylbenzene
InChI:
InChI=1S/C10H13ClS/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChI Key:
OMSCMJGUCKTCEA-UHFFFAOYSA-N
SMILES:
ClCCCCSc1ccccc1
Properties
Complexity:
100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.724g/mol
Monoisotopic Mass:
200.043g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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