Home Carboxys 2-(1-hydroxy-2-methylpropan-2-yl)-1H-1,3-benzodiazole-5-carboxylic acid hydrochloride

2-(1-hydroxy-2-methylpropan-2-yl)-1H-1,3-benzodiazole-5-carboxylic acid hydrochloride

CAS No.:
2126161-43-9
Catalog Number:
AG01EKHA
Molecular Formula:
C12H15ClN2O3
Molecular Weight:
270.7121
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Product Description
Catalog Number:
AG01EKHA
Chemical Name:
2-(1-hydroxy-2-methylpropan-2-yl)-1H-1,3-benzodiazole-5-carboxylic acid hydrochloride
CAS Number:
2126161-43-9
Molecular Formula:
C12H15ClN2O3
Molecular Weight:
270.7121
MDL Number:
MFCD31381219
IUPAC Name:
2-(1-hydroxy-2-methylpropan-2-yl)-3H-benzimidazole-5-carboxylic acid;hydrochloride
InChI:
InChI=1S/C12H14N2O3.ClH/c1-12(2,6-15)11-13-8-4-3-7(10(16)17)5-9(8)14-11;/h3-5,15H,6H2,1-2H3,(H,13,14)(H,16,17);1H
InChI Key:
UYUFTMZLXNIZKQ-UHFFFAOYSA-N
SMILES:
OCC(c1nc2c([nH]1)ccc(c2)C(=O)O)(C)C.Cl
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.077g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
270.713g/mol
Monoisotopic Mass:
270.077g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties