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Home > Aldehydes > 133468-89-0
133468-89-0 | 2,5-BENZO[D]THIAZOLEDICARBOXALDEHYDE
CAS No: 133468-89-0 Catalog No: AG007NF2 MDL No:
Product Description
Catalog Number:
AG007NF2
Chemical Name:
2,5-BENZO[D]THIAZOLEDICARBOXALDEHYDE
CAS Number:
133468-89-0
Molecular Formula:
C9H5NO2S
Molecular Weight:
191.2065
IUPAC Name:
1,3-benzothiazole-2,5-dicarbaldehyde
InChI:
InChI=1S/C9H5NO2S/c11-4-6-1-2-8-7(3-6)10-9(5-12)13-8/h1-5H
InChI Key:
MXKROJKZQFDEIO-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)nc(s2)C=O
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.004g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.204g/mol
Monoisotopic Mass:
191.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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