Home Other Building Blocks 4-IODO-1,5-DIMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID

4-IODO-1,5-DIMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID

CAS No.:
6647-95-6
Catalog Number:
AG01DWKY
Molecular Formula:
C6H7IN2O2
Molecular Weight:
266.0365
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Product Description
Catalog Number:
AG01DWKY
Chemical Name:
4-IODO-1,5-DIMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
CAS Number:
6647-95-6
Molecular Formula:
C6H7IN2O2
Molecular Weight:
266.0365
MDL Number:
MFCD16702693
IUPAC Name:
4-iodo-1,5-dimethylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C6H7IN2O2/c1-3-4(7)5(6(10)11)8-9(3)2/h1-2H3,(H,10,11)
InChI Key:
LLKCKWLAENNHOZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn(c(c1I)C)C
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.955g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
266.038g/mol
Monoisotopic Mass:
265.955g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties