Home Carboxys 1H-Pyrrole-3-carboxylic acid, 5-(4-fluorophenyl)-

1H-Pyrrole-3-carboxylic acid, 5-(4-fluorophenyl)-

CAS No.:
250213-76-4
Catalog Number:
AG00I4RZ
Molecular Formula:
C11H8FNO2
Molecular Weight:
205.1851
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Product Description
Catalog Number:
AG00I4RZ
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 5-(4-fluorophenyl)-
CAS Number:
250213-76-4
Molecular Formula:
C11H8FNO2
Molecular Weight:
205.1851
MDL Number:
MFCD24492054
IUPAC Name:
5-(4-fluorophenyl)-1H-pyrrole-3-carboxylic acid
InChI:
InChI=1S/C11H8FNO2/c12-9-3-1-7(2-4-9)10-5-8(6-13-10)11(14)15/h1-6,13H,(H,14,15)
InChI Key:
XXCHUYBQDIUUCH-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1[nH]cc(c1)C(=O)O
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.054g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
205.188g/mol
Monoisotopic Mass:
205.054g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties