Home Carboxys ethyl 4-iodo-5-methyl-1H-pyrazole-3-carboxylate

ethyl 4-iodo-5-methyl-1H-pyrazole-3-carboxylate

CAS No.:
1019403-26-9
Catalog Number:
AG01EL7F
Molecular Formula:
C7H9IN2O2
Molecular Weight:
280.0630
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Product Description
Catalog Number:
AG01EL7F
Chemical Name:
ethyl 4-iodo-5-methyl-1H-pyrazole-3-carboxylate
CAS Number:
1019403-26-9
Molecular Formula:
C7H9IN2O2
Molecular Weight:
280.0630
MDL Number:
MFCD22192683
IUPAC Name:
ethyl 4-iodo-5-methyl-1H-pyrazole-3-carboxylate
InChI:
InChI=1S/C7H9IN2O2/c1-3-12-7(11)6-5(8)4(2)9-10-6/h3H2,1-2H3,(H,9,10)
InChI Key:
LXFPQKKHIGHBEX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n[nH]c(c1I)C
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.971g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
280.065g/mol
Monoisotopic Mass:
279.971g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties