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149769-81-3 | 1H-Pyrrole-2-carboxylic acid, 5-iodo-
CAS No: 149769-81-3 Catalog No: AG001LZJ MDL No:MFCD27923148
Product Description
Catalog Number:
AG001LZJ
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 5-iodo-
CAS Number:
149769-81-3
Molecular Formula:
C5H4INO2
Molecular Weight:
236.9952
MDL Number:
MFCD27923148
IUPAC Name:
5-iodo-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C5H4INO2/c6-4-2-1-3(7-4)5(8)9/h1-2,7H,(H,8,9)
InChI Key:
IONCCJJAVPUBDG-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc([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:
1.3
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