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Home > Aldehydes > 1379259-81-0
1379259-81-0 | benzo[d]isothiazole-4-carbaldehyde
CAS No: 1379259-81-0 Catalog No: AG01DVZ8 MDL No:MFCD19687656
Product Description
Catalog Number:
AG01DVZ8
Chemical Name:
benzo[d]isothiazole-4-carbaldehyde
CAS Number:
1379259-81-0
Molecular Formula:
C8H5NOS
Molecular Weight:
163.1964
MDL Number:
MFCD19687656
IUPAC Name:
1,2-benzothiazole-4-carbaldehyde
InChI:
InChI=1S/C8H5NOS/c10-5-6-2-1-3-8-7(6)4-9-11-8/h1-5H
InChI Key:
PBULSLSMTXGBJX-UHFFFAOYSA-N
SMILES:
O=Cc1cccc2c1cns2
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.009g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.194g/mol
Monoisotopic Mass:
163.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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