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Home > Aldehydes > 1368353-79-0
1368353-79-0 | 2-methoxy-1,3-benzothiazole-6-carbaldehyde
CAS No: 1368353-79-0 Catalog No: AG01EM9O MDL No:MFCD22061312
Product Description
Catalog Number:
AG01EM9O
Chemical Name:
2-methoxy-1,3-benzothiazole-6-carbaldehyde
CAS Number:
1368353-79-0
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
MDL Number:
MFCD22061312
IUPAC Name:
2-methoxy-1,3-benzothiazole-6-carbaldehyde
InChI:
InChI=1S/C9H7NO2S/c1-12-9-10-7-3-2-6(5-11)4-8(7)13-9/h2-5H,1H3
InChI Key:
GWJFZBZAQKYEAQ-UHFFFAOYSA-N
SMILES:
COc1nc2c(s1)cc(cc2)C=O
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.22g/mol
Monoisotopic Mass:
193.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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