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946-12-3

946-12-3 | 6-Methoxybenzothiazole-2-carboxamide

CAS No: 946-12-3 Catalog No: AG0069FK MDL No:MFCD00297288

Product Description

Catalog Number:
AG0069FK
Chemical Name:
6-Methoxybenzothiazole-2-carboxamide
CAS Number:
946-12-3
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
MDL Number:
MFCD00297288
IUPAC Name:
6-methoxy-1,3-benzothiazole-2-carboxamide
InChI:
InChI=1S/C9H8N2O2S/c1-13-5-2-3-6-7(4-5)14-9(11-6)8(10)12/h2-4H,1H3,(H2,10,12)
InChI Key:
KIJPPCHUGXJVFH-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)sc(n2)C(=O)N

Properties

Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.031g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.235g/mol
Monoisotopic Mass:
208.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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