Home Halogens Methyl 7-bromo-2-methyl-1-propyl-1,3-benzodiazole-5-carboxylate

Methyl 7-bromo-2-methyl-1-propyl-1,3-benzodiazole-5-carboxylate

CAS No.:
1437794-72-3
Catalog Number:
AG00HWZ2
Molecular Formula:
C13H15BrN2O2
Molecular Weight:
311.1744
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$200
- +
5g
97%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00HWZ2
Chemical Name:
Methyl 7-bromo-2-methyl-1-propyl-1,3-benzodiazole-5-carboxylate
CAS Number:
1437794-72-3
Molecular Formula:
C13H15BrN2O2
Molecular Weight:
311.1744
MDL Number:
MFCD24448848
IUPAC Name:
methyl 7-bromo-2-methyl-1-propylbenzimidazole-5-carboxylate
InChI:
InChI=1S/C13H15BrN2O2/c1-4-5-16-8(2)15-11-7-9(13(17)18-3)6-10(14)12(11)16/h6-7H,4-5H2,1-3H3
InChI Key:
MORMGQZVHMJJQI-UHFFFAOYSA-N
SMILES:
CCCn1c(C)nc2c1c(Br)cc(c2)C(=O)OC
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.032g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.179g/mol
Monoisotopic Mass:
310.032g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties