Home Carboxys 4-iodo-3-methyl-1H-pyrazole-5-carboxylic acid

4-iodo-3-methyl-1H-pyrazole-5-carboxylic acid

CAS No.:
861553-53-9
Catalog Number:
AG01C9BI
Molecular Formula:
C5H5IN2O2
Molecular Weight:
252.0099
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Product Description
Catalog Number:
AG01C9BI
Chemical Name:
4-iodo-3-methyl-1H-pyrazole-5-carboxylic acid
CAS Number:
861553-53-9
Molecular Formula:
C5H5IN2O2
Molecular Weight:
252.0099
MDL Number:
MFCD16103400
IUPAC Name:
4-iodo-5-methyl-1H-pyrazole-3-carboxylic acid
InChI:
InChI=1S/C5H5IN2O2/c1-2-3(6)4(5(9)10)8-7-2/h1H3,(H,7,8)(H,9,10)
InChI Key:
KHVWPKJXICZKNM-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]nc(c1I)C
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.94g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
252.011g/mol
Monoisotopic Mass:
251.94g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties