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20061-46-5 | 5-Benzothiazolecarboxaldehyde, 2-methyl-
CAS No: 20061-46-5 Catalog No: AG002CVQ MDL No:MFCD02690143
Product Description
Catalog Number:
AG002CVQ
Chemical Name:
5-Benzothiazolecarboxaldehyde, 2-methyl-
CAS Number:
20061-46-5
Molecular Formula:
C9H7NOS
Molecular Weight:
177.2230
MDL Number:
MFCD02690143
IUPAC Name:
2-methyl-1,3-benzothiazole-5-carbaldehyde
InChI:
InChI=1S/C9H7NOS/c1-6-10-8-4-7(5-11)2-3-9(8)12-6/h2-5H,1H3
InChI Key:
PONNYPGVGULWMI-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)nc(s2)C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.221g/mol
Monoisotopic Mass:
177.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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