Home Halogens 7-chlorobenzo[b]thiophene-2-carbaldehyde

7-chlorobenzo[b]thiophene-2-carbaldehyde

CAS No.:
477735-67-4
Catalog Number:
AG00DBCV
Molecular Formula:
C9H5ClOS
Molecular Weight:
196.6534
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Product Description
Catalog Number:
AG00DBCV
Chemical Name:
7-chlorobenzo[b]thiophene-2-carbaldehyde
CAS Number:
477735-67-4
Molecular Formula:
C9H5ClOS
Molecular Weight:
196.6534
MDL Number:
MFCD17169317
IUPAC Name:
7-chloro-1-benzothiophene-2-carbaldehyde
InChI:
InChI=1S/C9H5ClOS/c10-8-3-1-2-6-4-7(5-11)12-9(6)8/h1-5H
InChI Key:
AMLIAHVNZRIOKN-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c(s1)c(Cl)ccc2
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.975g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.648g/mol
Monoisotopic Mass:
195.975g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties