Home Carboxys methyl 4,5,6,7-tetrahydro-1H-1,3-benzodiazole-5-carboxylate hydrochloride

methyl 4,5,6,7-tetrahydro-1H-1,3-benzodiazole-5-carboxylate hydrochloride

CAS No.:
1426827-13-5
Catalog Number:
AG00HWK2
Molecular Formula:
C9H13ClN2O2
Molecular Weight:
216.6647
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$300
- +
5g
95%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG00HWK2
Chemical Name:
methyl 4,5,6,7-tetrahydro-1H-1,3-benzodiazole-5-carboxylate hydrochloride
CAS Number:
1426827-13-5
Molecular Formula:
C9H13ClN2O2
Molecular Weight:
216.6647
MDL Number:
MFCD27578344
IUPAC Name:
methyl 4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylate;hydrochloride
InChI:
InChI=1S/C9H12N2O2.ClH/c1-13-9(12)6-2-3-7-8(4-6)11-5-10-7;/h5-6H,2-4H2,1H3,(H,10,11);1H
InChI Key:
CNIWNBLYCFGVMA-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCc2c(C1)nc[nH]2.Cl
Properties
Complexity:
208  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
216.665g/mol
Monoisotopic Mass:
216.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties