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19989-67-4 | Benzo[d]thiazole-6-carbaldehyde
CAS No: 19989-67-4 Catalog No: AG002CF5 MDL No:MFCD03086101
Product Description
Catalog Number:
AG002CF5
Chemical Name:
Benzo[d]thiazole-6-carbaldehyde
CAS Number:
19989-67-4
Molecular Formula:
C8H5NOS
Molecular Weight:
163.1964
MDL Number:
MFCD03086101
IUPAC Name:
1,3-benzothiazole-6-carbaldehyde
InChI:
InChI=1S/C8H5NOS/c10-4-6-1-2-7-8(3-6)11-5-9-7/h1-5H
InChI Key:
AVSFPLJXSHRMHM-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)scn2
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:
1.5
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