Home Halogens Ethyl 1-(4-bromophenyl)-5-cyano-1H-pyrazole-4-carboxylate

Ethyl 1-(4-bromophenyl)-5-cyano-1H-pyrazole-4-carboxylate

CAS No.:
98475-71-9
Catalog Number:
AG00IK3L
Molecular Formula:
C13H10BrN3O2
Molecular Weight:
320.1414
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$513
- +
1g
95%
1 week
United States
$1225
- +
Product Description
Catalog Number:
AG00IK3L
Chemical Name:
Ethyl 1-(4-bromophenyl)-5-cyano-1H-pyrazole-4-carboxylate
CAS Number:
98475-71-9
Molecular Formula:
C13H10BrN3O2
Molecular Weight:
320.1414
MDL Number:
MFCD17215110
IUPAC Name:
ethyl 1-(4-bromophenyl)-5-cyanopyrazole-4-carboxylate
InChI:
InChI=1S/C13H10BrN3O2/c1-2-19-13(18)11-8-16-17(12(11)7-15)10-5-3-9(14)4-6-10/h3-6,8H,2H2,1H3
InChI Key:
TWGLRUQZUNIEBJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1C#N)c1ccc(cc1)Br
Properties
Complexity:
373  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.996g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.146g/mol
Monoisotopic Mass:
318.996g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties