1H-Pyrazole-4-carboxylic acid, 3-iodo-, ethyl ester


Chemical Name: 1H-Pyrazole-4-carboxylic acid, 3-iodo-, ethyl ester
CAS Number: 827316-43-8
Product Number: AG0058R0(AGN-PC-0OIQC2)
Synonyms:
MDL No:
Molecular Formula: C6H7IN2O2
Molecular Weight: 266.0365

Identification/Properties


Properties
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
266.038g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
265.955g/mol
Monoisotopic Mass:
265.955g/mol
Topological Polar Surface Area:
55A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
154
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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