Home Carboxys 5-iodo-1-phenyl-1H-pyrazole-4-carboxylic acid

5-iodo-1-phenyl-1H-pyrazole-4-carboxylic acid

CAS No.:
1566267-54-6
Catalog Number:
AG01B7F2
Molecular Formula:
C10H7IN2O2
Molecular Weight:
314.0793
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Product Description
Catalog Number:
AG01B7F2
Chemical Name:
5-iodo-1-phenyl-1H-pyrazole-4-carboxylic acid
CAS Number:
1566267-54-6
Molecular Formula:
C10H7IN2O2
Molecular Weight:
314.0793
MDL Number:
MFCD26813940
IUPAC Name:
5-iodo-1-phenylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C10H7IN2O2/c11-9-8(10(14)15)6-12-13(9)7-4-2-1-3-5-7/h1-6H,(H,14,15)
InChI Key:
GGODEEOENNCYTE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1I)c1ccccc1
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.955g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
314.082g/mol
Monoisotopic Mass:
313.955g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties