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Home Carboxys Methyl 1-butyl-1,3-benzodiazole-5-carboxylate

Methyl 1-butyl-1,3-benzodiazole-5-carboxylate

CAS No.:
1414029-20-1
Catalog Number:
AG009WT8
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$450
- +
10g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG009WT8
Chemical Name:
Methyl 1-butyl-1,3-benzodiazole-5-carboxylate
CAS Number:
1414029-20-1
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
MDL Number:
MFCD22574968
IUPAC Name:
methyl 1-butylbenzimidazole-5-carboxylate
InChI:
InChI=1S/C13H16N2O2/c1-3-4-7-15-9-14-11-8-10(13(16)17-2)5-6-12(11)15/h5-6,8-9H,3-4,7H2,1-2H3
InChI Key:
HWGYDWBVCLBXRF-UHFFFAOYSA-N
SMILES:
CCCCn1cnc2c1ccc(c2)C(=O)OC
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties