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71501-27-4

71501-27-4 | Benzene,1-chloro-2-[(2-chloroethyl)thio]-

CAS No: 71501-27-4 Catalog No: AG005HOT MDL No:

Product Description

Catalog Number:
AG005HOT
Chemical Name:
Benzene,1-chloro-2-[(2-chloroethyl)thio]-
CAS Number:
71501-27-4
Molecular Formula:
C8H8Cl2S
Molecular Weight:
207.1201
IUPAC Name:
1-chloro-2-(2-chloroethylsulfanyl)benzene
InChI:
InChI=1S/C8H8Cl2S/c9-5-6-11-8-4-2-1-3-7(8)10/h1-4H,5-6H2
InChI Key:
HYBSVQIBUYRISZ-UHFFFAOYSA-N
SMILES:
ClCCSc1ccccc1Cl
EC Number:
275-556-2
NSC Number:
202722

Properties

Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.972g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.112g/mol
Monoisotopic Mass:
205.972g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

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