Home Carboxys Imidazole-1-carboxylic acid 4-trifluoromethylbenzyl ester

Imidazole-1-carboxylic acid 4-trifluoromethylbenzyl ester

CAS No.:
702682-48-2
Catalog Number:
AG01F2I6
Molecular Formula:
C12H9F3N2O2
Molecular Weight:
270.2073
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$198
- +
1g
1 week
United States
$357
- +
5g
1 week
United States
$1420
- +
Product Description
Catalog Number:
AG01F2I6
Chemical Name:
Imidazole-1-carboxylic acid 4-trifluoromethylbenzyl ester
CAS Number:
702682-48-2
Molecular Formula:
C12H9F3N2O2
Molecular Weight:
270.2073
MDL Number:
MFCD28166158
IUPAC Name:
[4-(trifluoromethyl)phenyl]methyl imidazole-1-carboxylate
InChI:
InChI=1S/C12H9F3N2O2/c13-12(14,15)10-3-1-9(2-4-10)7-19-11(18)17-6-5-16-8-17/h1-6,8H,7H2
InChI Key:
MAEZLMYBHFOWHP-UHFFFAOYSA-N
SMILES:
O=C(n1cncc1)OCc1ccc(cc1)C(F)(F)F
Properties
Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.062g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.211g/mol
Monoisotopic Mass:
270.062g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties