Home Carboxys 5-iodo-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid

5-iodo-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid

CAS No.:
1566806-22-1
Catalog Number:
AG01BS0W
Molecular Formula:
C7H9IN2O2
Molecular Weight:
280.0630
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Product Description
Catalog Number:
AG01BS0W
Chemical Name:
5-iodo-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
CAS Number:
1566806-22-1
Molecular Formula:
C7H9IN2O2
Molecular Weight:
280.0630
MDL Number:
MFCD26813993
IUPAC Name:
5-iodo-1-propan-2-ylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C7H9IN2O2/c1-4(2)10-6(8)5(3-9-10)7(11)12/h3-4H,1-2H3,(H,11,12)
InChI Key:
JITAJYTVAWNICE-UHFFFAOYSA-N
SMILES:
CC(n1ncc(c1I)C(=O)O)C
Properties
Complexity:
186  
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:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties