Home Carboxys 1-(2-Fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxylic acid

1-(2-Fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxylic acid

CAS No.:
1172017-52-5
Catalog Number:
AG00HDW0
Molecular Formula:
C14H10FN3O2
Molecular Weight:
271.2465
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Product Description
Catalog Number:
AG00HDW0
Chemical Name:
1-(2-Fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxylic acid
CAS Number:
1172017-52-5
Molecular Formula:
C14H10FN3O2
Molecular Weight:
271.2465
MDL Number:
MFCD09971370
IUPAC Name:
1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C14H10FN3O2/c15-11-5-1-2-6-12(11)18-13(17-7-3-4-8-17)10(9-16-18)14(19)20/h1-9H,(H,19,20)
InChI Key:
GWJWVCUSKWCSTQ-UHFFFAOYSA-N
SMILES:
Fc1ccccc1n1ncc(c1n1cccc1)C(=O)O
Properties
Complexity:
362  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.076g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
271.251g/mol
Monoisotopic Mass:
271.076g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties