Home Halogens Benzo[b]thiophene, 3-chloro-2-(chloromethyl)-

Benzo[b]thiophene, 3-chloro-2-(chloromethyl)-

CAS No.:
620116-39-4
Catalog Number:
AG00IAYK
Molecular Formula:
C9H6Cl2S
Molecular Weight:
217.1149
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Product Description
Catalog Number:
AG00IAYK
Chemical Name:
Benzo[b]thiophene, 3-chloro-2-(chloromethyl)-
CAS Number:
620116-39-4
Molecular Formula:
C9H6Cl2S
Molecular Weight:
217.1149
MDL Number:
MFCD07850241
IUPAC Name:
3-chloro-2-(chloromethyl)-1-benzothiophene
InChI:
InChI=1S/C9H6Cl2S/c10-5-8-9(11)6-3-1-2-4-7(6)12-8/h1-4H,5H2
InChI Key:
ARJXIOJZPWAPOY-UHFFFAOYSA-N
SMILES:
ClCc1sc2c(c1Cl)cccc2
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.957g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.107g/mol
Monoisotopic Mass:
215.957g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties