Home Carboxys Methyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate

Methyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate

CAS No.:
874781-97-2
Catalog Number:
AG00IEMD
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
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:
AG00IEMD
Chemical Name:
Methyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate
CAS Number:
874781-97-2
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
MDL Number:
MFCD01570658
IUPAC Name:
methyl 1-propan-2-ylbenzotriazole-5-carboxylate
InChI:
InChI=1S/C11H13N3O2/c1-7(2)14-10-5-4-8(11(15)16-3)6-9(10)12-13-14/h4-7H,1-3H3
InChI Key:
RBRRVGONXXCEBA-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)nnn2C(C)C
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.101g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.244g/mol
Monoisotopic Mass:
219.101g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties