Home Carboxys 2-methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazole-5-carboxylic acid hydrochloride

2-methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazole-5-carboxylic acid hydrochloride

CAS No.:
131020-46-7
Catalog Number:
AG01AMOP
Molecular Formula:
C9H13ClN2O2
Molecular Weight:
216.6647
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AMOP
Chemical Name:
2-methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazole-5-carboxylic acid hydrochloride
CAS Number:
131020-46-7
Molecular Formula:
C9H13ClN2O2
Molecular Weight:
216.6647
MDL Number:
MFCD28369944
IUPAC Name:
2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid;hydrochloride
InChI:
InChI=1S/C9H12N2O2.ClH/c1-5-10-7-3-2-6(9(12)13)4-8(7)11-5;/h6H,2-4H2,1H3,(H,10,11)(H,12,13);1H
InChI Key:
KGMLDOIDTRMKEK-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCc2c(C1)nc([nH]2)C.Cl
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.067g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
216.665g/mol
Monoisotopic Mass:
216.067g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties