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1005-06-7,MFCD11615165
Catalog No.:AA000234
1005-06-7 | Benzene, 1-chloro-2-(2-chloroethyl)-
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$301.00   $211.00
- +
500mg
95.0%
3 weeks  
$516.00   $361.00
- +
1g
95.0%
3 weeks  
$676.00   $473.00
- +
  • Technical Information
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000234
Chemical Name:
Benzene, 1-chloro-2-(2-chloroethyl)-
CAS Number:
1005-06-7
Molecular Formula:
C8H8Cl2
Molecular Weight:
175.0551
MDL Number:
MFCD11615165
IUPAC Name:
1-chloro-2-(2-chloroethyl)benzene
InChI:
InChI=1S/C8H8Cl2/c9-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2
InChI Key:
NFWMXIVUTWWCNO-UHFFFAOYSA-N
SMILES:
ClCCc1ccccc1Cl
Properties
Computed Properties
 
Complexity:
93.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.052g/mol
Monoisotopic Mass:
174g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

Synonyms
 
1-chloro-2-(2-chloroethyl)benzene 
1005-06-7 
EN300-60096 
1-CHLORO-2-(ORTHO-CHLOROPHENYL)-ETHANE 
2-chlorophenylethyl chloride 
Benzene, 1-chloro-2-(2-chloroethyl)- 
AC1Q3UIQ 
SCHEMBL575128 
CTK0G8826 
DTXSID70503518 
1-(2-Chloroethyl)-2-chlorobenzene 
ZINC49651113 
NE34757 
Literature
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