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1284226-74-9 | Imidazo[2,1-b]benzothiazole-2-carboxylic acid, hydrate (1:1)
CAS No: 1284226-74-9 Catalog No: AG000Y2M MDL No:MFCD08444056
Product Description
Catalog Number:
AG000Y2M
Chemical Name:
Imidazo[2,1-b]benzothiazole-2-carboxylic acid, hydrate (1:1)
CAS Number:
1284226-74-9
Molecular Formula:
C10H8N2O3S
Molecular Weight:
236.2471
MDL Number:
MFCD08444056
IUPAC Name:
imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid;hydrate
InChI:
InChI=1S/C10H6N2O2S.H2O/c13-9(14)6-5-12-7-3-1-2-4-8(7)15-10(12)11-6;/h1-5H,(H,13,14);1H2
InChI Key:
ZKXRJYLEZVAKNR-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn2c(n1)sc1c2cccc1.O
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.026g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.245g/mol
Monoisotopic Mass:
236.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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