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71501-38-7 | Benzene,1-chloro-4-[[(2-chloroethyl)thio]methyl]-
CAS No: 71501-38-7 Catalog No: AG005HOP MDL No:
Product Description
Catalog Number:
AG005HOP
Chemical Name:
Benzene,1-chloro-4-[[(2-chloroethyl)thio]methyl]-
CAS Number:
71501-38-7
Molecular Formula:
C9H10Cl2S
Molecular Weight:
221.1467
IUPAC Name:
1-chloro-4-(2-chloroethylsulfanylmethyl)benzene
InChI:
InChI=1S/C9H10Cl2S/c10-5-6-12-7-8-1-3-9(11)4-2-8/h1-4H,5-7H2
InChI Key:
HYRQROHDRSJJOK-UHFFFAOYSA-N
SMILES:
ClCCSCc1ccc(cc1)Cl
EC Number:
275-566-7
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.988g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.139g/mol
Monoisotopic Mass:
219.988g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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