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70292-64-7

70292-64-7 | Benzothiazole, 2-ethoxy- (9CI)

CAS No: 70292-64-7 Catalog No: AG005W83 MDL No:MFCD00093023

Product Description

Catalog Number:
AG005W83
Chemical Name:
Benzothiazole, 2-ethoxy- (9CI)
CAS Number:
70292-64-7
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
MDL Number:
MFCD00093023
IUPAC Name:
2-ethoxy-1,3-benzothiazole
InChI:
InChI=1S/C9H9NOS/c1-2-11-9-10-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3
InChI Key:
LLQCHJGEDKLPOX-UHFFFAOYSA-N
SMILES:
CCOc1nc2c(s1)cccc2

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:
2.9  

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