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Home Carboxys Methyl 1-isopropyl-2-methyl-1,3-benzodiazole-5-carboxylate

Methyl 1-isopropyl-2-methyl-1,3-benzodiazole-5-carboxylate

CAS No.:
904686-95-9
Catalog Number:
AG00IG5G
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00IG5G
Chemical Name:
Methyl 1-isopropyl-2-methyl-1,3-benzodiazole-5-carboxylate
CAS Number:
904686-95-9
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
MDL Number:
MFCD22574966
IUPAC Name:
methyl 2-methyl-1-propan-2-ylbenzimidazole-5-carboxylate
InChI:
InChI=1S/C13H16N2O2/c1-8(2)15-9(3)14-11-7-10(13(16)17-4)5-6-12(11)15/h5-8H,1-4H3
InChI Key:
WLTJFLMJMFOWKP-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)nc(n2C(C)C)C
Properties
Complexity:
293  
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:
3  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties