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CHEMHERE CHEM96645

CAS No.:
34263-64-4
Catalog Number:
AG01EAAT
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
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Product Description
Catalog Number:
AG01EAAT
Chemical Name:
CHEMHERE CHEM96645
CAS Number:
34263-64-4
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
MDL Number:
MFCD28663692
IUPAC Name:
3-ethoxy-1,2-benzothiazole
InChI:
InChI=1S/C9H9NOS/c1-2-11-9-7-5-3-4-6-8(7)12-10-9/h3-6H,2H2,1H3
InChI Key:
WELJACUPHOSDSL-UHFFFAOYSA-N
SMILES:
CCOc1nsc2c1cccc2
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.04g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties