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28540-51-4 | Benzo[b]thiophene-2-carboxaldehyde, 5-chloro-
CAS No: 28540-51-4 Catalog No: AG002VOL MDL No:MFCD16622780
Product Description
Catalog Number:
AG002VOL
Chemical Name:
Benzo[b]thiophene-2-carboxaldehyde, 5-chloro-
CAS Number:
28540-51-4
Molecular Formula:
C9H5ClOS
Molecular Weight:
196.6534
MDL Number:
MFCD16622780
IUPAC Name:
5-chloro-1-benzothiophene-2-carbaldehyde
InChI:
InChI=1S/C9H5ClOS/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-5H
InChI Key:
ZKNZDTHWZYRQIH-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c(s1)ccc(c2)Cl
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
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