Home Carboxys 1-(3-iodophenyl)-1H-pyrrole-2-carboxylic acid

1-(3-iodophenyl)-1H-pyrrole-2-carboxylic acid

CAS No.:
1153319-84-6
Catalog Number:
AG01A7SI
Molecular Formula:
C11H8INO2
Molecular Weight:
313.0912
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Product Description
Catalog Number:
AG01A7SI
Chemical Name:
1-(3-iodophenyl)-1H-pyrrole-2-carboxylic acid
CAS Number:
1153319-84-6
Molecular Formula:
C11H8INO2
Molecular Weight:
313.0912
MDL Number:
MFCD05174712
IUPAC Name:
1-(3-iodophenyl)pyrrole-2-carboxylic acid
InChI:
InChI=1S/C11H8INO2/c12-8-3-1-4-9(7-8)13-6-2-5-10(13)11(14)15/h1-7H,(H,14,15)
InChI Key:
BEHVWILOAHVACA-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)n1cccc1C(=O)O
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.96g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
313.094g/mol
Monoisotopic Mass:
312.96g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties