Home Carboxys 2-(propan-2-yl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole-5-carboxylic acid hydrochloride

2-(propan-2-yl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole-5-carboxylic acid hydrochloride

CAS No.:
1004529-30-9
Catalog Number:
AG01BEHE
Molecular Formula:
C11H17ClN2O2
Molecular Weight:
244.7179
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Product Description
Catalog Number:
AG01BEHE
Chemical Name:
2-(propan-2-yl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole-5-carboxylic acid hydrochloride
CAS Number:
1004529-30-9
Molecular Formula:
C11H17ClN2O2
Molecular Weight:
244.7179
MDL Number:
MFCD28118346
IUPAC Name:
2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid;hydrochloride
InChI:
InChI=1S/C11H16N2O2.ClH/c1-6(2)10-12-8-4-3-7(11(14)15)5-9(8)13-10;/h6-7H,3-5H2,1-2H3,(H,12,13)(H,14,15);1H
InChI Key:
DDYVYDJWBOANHZ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCc2c(C1)nc([nH]2)C(C)C.Cl
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.098g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
244.719g/mol
Monoisotopic Mass:
244.098g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties