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106086-77-5 | 2-Benzothiazoleacetaldehyde
CAS No: 106086-77-5 Catalog No: AG0084E7 MDL No:MFCD12756047
Product Description
Catalog Number:
AG0084E7
Chemical Name:
2-Benzothiazoleacetaldehyde
CAS Number:
106086-77-5
Molecular Formula:
C9H7NOS
Molecular Weight:
177.2230
MDL Number:
MFCD12756047
IUPAC Name:
2-(1,3-benzothiazol-2-yl)acetaldehyde
InChI:
InChI=1S/C9H7NOS/c11-6-5-9-10-7-3-1-2-4-8(7)12-9/h1-4,6H,5H2
InChI Key:
NXJKMELVOFATNP-UHFFFAOYSA-N
SMILES:
O=CCc1nc2c(s1)cccc2
Properties
Complexity:
174
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:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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