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305381-76-4

305381-76-4 | 5-Benzothiazolecarboxylic acid, 2,4-dimethyl-

CAS No: 305381-76-4 Catalog No: AG0030HD MDL No:

Product Description

Catalog Number:
AG0030HD
Chemical Name:
5-Benzothiazolecarboxylic acid, 2,4-dimethyl-
CAS Number:
305381-76-4
Molecular Formula:
C10H9NO2S
Molecular Weight:
207.2490
IUPAC Name:
2,4-dimethyl-1,3-benzothiazole-5-carboxylic acid
InChI:
InChI=1S/C10H9NO2S/c1-5-7(10(12)13)3-4-8-9(5)11-6(2)14-8/h3-4H,1-2H3,(H,12,13)
InChI Key:
XJOVCLHWXYYSMU-UHFFFAOYSA-N
SMILES:
Cc1c(ccc2c1nc(s2)C)C(=O)O

Properties

Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.035g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.247g/mol
Monoisotopic Mass:
207.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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