Home Other Building Blocks 3-iodo-4-(1H-pyrazol-1-yl)benzoic acid

3-iodo-4-(1H-pyrazol-1-yl)benzoic acid

CAS No.:
1800488-76-9
Catalog Number:
AG01DJRZ
Molecular Formula:
C10H7IN2O2
Molecular Weight:
314.0792
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Product Description
Catalog Number:
AG01DJRZ
Chemical Name:
3-iodo-4-(1H-pyrazol-1-yl)benzoic acid
CAS Number:
1800488-76-9
Molecular Formula:
C10H7IN2O2
Molecular Weight:
314.0792
MDL Number:
MFCD31652322
IUPAC Name:
3-iodo-4-pyrazol-1-ylbenzoic acid
InChI:
InChI=1S/C10H7IN2O2/c11-8-6-7(10(14)15)2-3-9(8)13-5-1-4-12-13/h1-6H,(H,14,15)
InChI Key:
YVUNWFPMFNIHQC-UHFFFAOYSA-N
SMILES:
Ic1cc(ccc1n1cccn1)C(=O)O
Properties
Complexity:
250  
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