Home Halogens methyl 4-chloro-1-ethyl-1H-pyrazole-3-carboxylate

methyl 4-chloro-1-ethyl-1H-pyrazole-3-carboxylate

CAS No.:
1856075-60-9
Catalog Number:
AG01EILM
Molecular Formula:
C7H9ClN2O2
Molecular Weight:
188.6116
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Product Description
Catalog Number:
AG01EILM
Chemical Name:
methyl 4-chloro-1-ethyl-1H-pyrazole-3-carboxylate
CAS Number:
1856075-60-9
Molecular Formula:
C7H9ClN2O2
Molecular Weight:
188.6116
MDL Number:
MFCD29910913
IUPAC Name:
methyl 4-chloro-1-ethylpyrazole-3-carboxylate
InChI:
InChI=1S/C7H9ClN2O2/c1-3-10-4-5(8)6(9-10)7(11)12-2/h4H,3H2,1-2H3
InChI Key:
KDWFBBWZVYBHCF-UHFFFAOYSA-N
SMILES:
COC(=O)c1nn(cc1Cl)CC
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.035g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.611g/mol
Monoisotopic Mass:
188.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties