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

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

CAS No.:
1400645-46-6
Catalog Number:
AG009X4K
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:
AG009X4K
Chemical Name:
Methyl 1-propyl-1,2,3-benzotriazole-5-carboxylate
CAS Number:
1400645-46-6
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
MDL Number:
MFCD22421552
IUPAC Name:
methyl 1-propylbenzotriazole-5-carboxylate
InChI:
InChI=1S/C11H13N3O2/c1-3-6-14-10-5-4-8(11(15)16-2)7-9(10)12-13-14/h4-5,7H,3,6H2,1-2H3
InChI Key:
SZMKMECFIIAIKV-UHFFFAOYSA-N
SMILES:
CCCn1nnc2c1ccc(c2)C(=O)OC
Properties
Complexity:
260  
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:
4  
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties