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178999-30-9 | 7-Benzothiazolecarboxaldehyde,2-(1,1-dimethylethyl)-(9CI)
CAS No: 178999-30-9 Catalog No: AG00AV16 MDL No:
Product Description
Catalog Number:
AG00AV16
Chemical Name:
7-Benzothiazolecarboxaldehyde,2-(1,1-dimethylethyl)-(9CI)
CAS Number:
178999-30-9
IUPAC Name:
2-tert-butyl-1,3-benzothiazole-7-carbaldehyde
InChI:
InChI=1S/C12H13NOS/c1-12(2,3)11-13-9-6-4-5-8(7-14)10(9)15-11/h4-7H,1-3H3
InChI Key:
QBLPDWZTXVTLAJ-UHFFFAOYSA-N
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.302g/mol
Monoisotopic Mass:
219.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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