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16296-68-7

16296-68-7 | Benzo[b]thiophene-3-carboxaldehyde, 5-chloro-

CAS No: 16296-68-7 Catalog No: AG001TKU MDL No:MFCD02677690

Product Description

Catalog Number:
AG001TKU
Chemical Name:
Benzo[b]thiophene-3-carboxaldehyde, 5-chloro-
CAS Number:
16296-68-7
Molecular Formula:
C9H5ClOS
Molecular Weight:
196.6534
MDL Number:
MFCD02677690
IUPAC Name:
5-chloro-1-benzothiophene-3-carbaldehyde
InChI:
InChI=1S/C9H5ClOS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-5H
InChI Key:
JDEWSTAKAXZTOX-UHFFFAOYSA-N
SMILES:
O=Cc1csc2c1cc(Cl)cc2

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  

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