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19922-85-1 | Benzene, 1-chloro-2-[[(2-chloroethyl)thio]methyl]-
CAS No: 19922-85-1 Catalog No: AG002C0G MDL No:
Product Description
Catalog Number:
AG002C0G
Chemical Name:
Benzene, 1-chloro-2-[[(2-chloroethyl)thio]methyl]-
CAS Number:
19922-85-1
Molecular Formula:
C9H10Cl2S
Molecular Weight:
221.1467
IUPAC Name:
1-chloro-2-(2-chloroethylsulfanylmethyl)benzene
InChI:
InChI=1S/C9H10Cl2S/c10-5-6-12-7-8-3-1-2-4-9(8)11/h1-4H,5-7H2
InChI Key:
METHRNHPAHSJPF-UHFFFAOYSA-N
SMILES:
ClCCSCc1ccccc1Cl
NSC Number:
24910
Properties
Complexity:
119
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:
3.5
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