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14006-54-3 | Benzo[b]thiophene-2-carboxaldehyde, 3-chloro-
CAS No: 14006-54-3 Catalog No: AG001BZK MDL No:MFCD00489051
Product Description
Catalog Number:
AG001BZK
Chemical Name:
Benzo[b]thiophene-2-carboxaldehyde, 3-chloro-
CAS Number:
14006-54-3
Molecular Formula:
C9H5ClOS
Molecular Weight:
196.6534
MDL Number:
MFCD00489051
IUPAC Name:
3-chloro-1-benzothiophene-2-carbaldehyde
InChI:
InChI=1S/C9H5ClOS/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-5H
InChI Key:
UFTPKLPCVLXBQY-UHFFFAOYSA-N
SMILES:
O=Cc1sc2c(c1Cl)cccc2
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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