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Home > Aldehydes > 1187243-11-3
1187243-11-3 | benzo[d]isothiazole-5-carbaldehyde
CAS No: 1187243-11-3 Catalog No: AG0092ZF MDL No:
Product Description
Catalog Number:
AG0092ZF
Chemical Name:
benzo[d]isothiazole-5-carbaldehyde
CAS Number:
1187243-11-3
IUPAC Name:
1,2-benzothiazole-5-carbaldehyde
InChI:
InChI=1S/C8H5NOS/c10-5-6-1-2-8-7(3-6)4-9-11-8/h1-5H
InChI Key:
UMRIHFYJENTDJA-UHFFFAOYSA-N
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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