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13012-61-8 | Benzene, [(3-chloro-2-methylpropyl)thio]-
CAS No: 13012-61-8 Catalog No: AG000U1G MDL No:
Product Description
Catalog Number:
AG000U1G
Chemical Name:
Benzene, [(3-chloro-2-methylpropyl)thio]-
CAS Number:
13012-61-8
Molecular Formula:
C10H13ClS
Molecular Weight:
200.7282
IUPAC Name:
(3-chloro-2-methylpropyl)sulfanylbenzene
InChI:
InChI=1S/C10H13ClS/c1-9(7-11)8-12-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChI Key:
QPLOEMDUXCIBKR-UHFFFAOYSA-N
SMILES:
ClCC(CSc1ccccc1)C
Properties
Complexity:
110
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:
4
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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