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7205-62-1 | Benzene, 1-chloro-4-[(1-methylethyl)thio]-
CAS No: 7205-62-1 Catalog No: AG005DBE MDL No:MFCD12973572
Product Description
Catalog Number:
AG005DBE
Chemical Name:
Benzene, 1-chloro-4-[(1-methylethyl)thio]-
CAS Number:
7205-62-1
Molecular Formula:
C9H11ClS
Molecular Weight:
186.7016
MDL Number:
MFCD12973572
IUPAC Name:
1-chloro-4-propan-2-ylsulfanylbenzene
InChI:
InChI=1S/C9H11ClS/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7H,1-2H3
InChI Key:
ZWKPKISWPZWKLB-UHFFFAOYSA-N
SMILES:
CC(Sc1ccc(cc1)Cl)C
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.697g/mol
Monoisotopic Mass:
186.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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