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

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

CAS No.:
799835-40-8
Catalog Number:
AG01B2DY
Molecular Formula:
C5H5IN2O2
Molecular Weight:
252.0099
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Product Description
Catalog Number:
AG01B2DY
Chemical Name:
3-iodo-1-methyl-1H-pyrazole-4-carboxylic acid
CAS Number:
799835-40-8
Molecular Formula:
C5H5IN2O2
Molecular Weight:
252.0099
MDL Number:
MFCD28142291
IUPAC Name:
3-iodo-1-methylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C5H5IN2O2/c1-8-2-3(5(9)10)4(6)7-8/h2H,1H3,(H,9,10)
InChI Key:
HABVPNAKDPNEEK-UHFFFAOYSA-N
SMILES:
Cn1nc(c(c1)C(=O)O)I
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:
1  
Isotope Atom Count:
0
Molecular Weight:
252.011g/mol
Monoisotopic Mass:
251.94g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties