Home Carboxys Ethyl 4-iodo-1-(4-methoxybenzyl)-1h-pyrazole-3-carboxylate

Ethyl 4-iodo-1-(4-methoxybenzyl)-1h-pyrazole-3-carboxylate

CAS No.:
1355249-29-4
Catalog Number:
AG00HU7M
Molecular Formula:
C14H15IN2O3
Molecular Weight:
386.1850
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$338
- +
Product Description
Catalog Number:
AG00HU7M
Chemical Name:
Ethyl 4-iodo-1-(4-methoxybenzyl)-1h-pyrazole-3-carboxylate
CAS Number:
1355249-29-4
Molecular Formula:
C14H15IN2O3
Molecular Weight:
386.1850
MDL Number:
MFCD30180245
IUPAC Name:
ethyl 4-iodo-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate
InChI:
InChI=1S/C14H15IN2O3/c1-3-20-14(18)13-12(15)9-17(16-13)8-10-4-6-11(19-2)7-5-10/h4-7,9H,3,8H2,1-2H3
InChI Key:
YNEVUNLNNQEWHG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(cc1I)Cc1ccc(cc1)OC
Properties
Complexity:
322  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.013g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.189g/mol
Monoisotopic Mass:
386.013g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties