Home Carboxys Methyl 1,3-benzodiazole-4-carboxylate

Methyl 1,3-benzodiazole-4-carboxylate

CAS No.:
37619-25-3
Catalog Number:
AG0038RY
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$63
- +
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$438
- +
25g
98%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG0038RY
Chemical Name:
Methyl 1,3-benzodiazole-4-carboxylate
CAS Number:
37619-25-3
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD09910212
IUPAC Name:
methyl 1H-benzimidazole-4-carboxylate
InChI:
InChI=1S/C9H8N2O2/c1-13-9(12)6-3-2-4-7-8(6)11-5-10-7/h2-5H,1H3,(H,10,11)
InChI Key:
UZMYAXZLWVFGBD-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1[nH]cn2
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties