Home Carboxys 4-iodo-1H-pyrrole-2-carboxylic acid

4-iodo-1H-pyrrole-2-carboxylic acid

CAS No.:
252861-26-0
Catalog Number:
AG00BH0U
Molecular Formula:
C5H4INO2
Molecular Weight:
236.9952
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Product Description
Catalog Number:
AG00BH0U
Chemical Name:
4-iodo-1H-pyrrole-2-carboxylic acid
CAS Number:
252861-26-0
Molecular Formula:
C5H4INO2
Molecular Weight:
236.9952
MDL Number:
MFCD10758077
IUPAC Name:
4-iodo-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C5H4INO2/c6-3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9)
InChI Key:
PGSPYCIHODWVMJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(c[nH]1)I
Properties
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.929g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
236.996g/mol
Monoisotopic Mass:
236.929g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties