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

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

CAS No.:
1437794-88-1
Catalog Number:
AG00AQI3
Molecular Formula:
C12H13BrN2O2
Molecular Weight:
297.1478
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$200
- +
5g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00AQI3
Chemical Name:
Methyl 7-bromo-1-propyl-1,3-benzodiazole-5-carboxylate
CAS Number:
1437794-88-1
Molecular Formula:
C12H13BrN2O2
Molecular Weight:
297.1478
MDL Number:
MFCD24448847
IUPAC Name:
methyl 7-bromo-1-propylbenzimidazole-5-carboxylate
InChI:
InChI=1S/C12H13BrN2O2/c1-3-4-15-7-14-10-6-8(12(16)17-2)5-9(13)11(10)15/h5-7H,3-4H2,1-2H3
InChI Key:
WQQYCDJMRDSWQQ-UHFFFAOYSA-N
SMILES:
CCCn1cnc2c1c(Br)cc(c2)C(=O)OC
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.016g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.152g/mol
Monoisotopic Mass:
296.016g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties