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Ethyl 1-methyl-5-(difluoromethyl)-1h-pyrazole-4-carboxylate

CAS No.:
851725-98-9
Catalog Number:
AG004QOF
Molecular Formula:
C8H10F2N2O2
Molecular Weight:
204.1740
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$156
- +
5g
1 week
United States
$502
- +
Product Description
Catalog Number:
AG004QOF
Chemical Name:
Ethyl 1-methyl-5-(difluoromethyl)-1h-pyrazole-4-carboxylate
CAS Number:
851725-98-9
Molecular Formula:
C8H10F2N2O2
Molecular Weight:
204.1740
MDL Number:
MFCD10567168
IUPAC Name:
ethyl 5-(difluoromethyl)-1-methylpyrazole-4-carboxylate
InChI:
InChI=1S/C8H10F2N2O2/c1-3-14-8(13)5-4-11-12(2)6(5)7(9)10/h4,7H,3H2,1-2H3
InChI Key:
AYCXDJXKBPZTTR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1C(F)F)C
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.071g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.177g/mol
Monoisotopic Mass:
204.071g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties