1H-Pyrrole-2-carboxylic acid, 4-iodo-, methyl ester


Chemical Name: 1H-Pyrrole-2-carboxylic acid, 4-iodo-, methyl ester
CAS Number: 40740-41-8
Product Number: AG0075EG(AGN-PC-00DV59)
Synonyms:
MDL No: MFCD07368824
Molecular Formula: C6H6INO2
Molecular Weight: 251.0218

Identification/Properties


Computed Properties
Molecular Weight:
251.023g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
250.944g/mol
Monoisotopic Mass:
250.944g/mol
Topological Polar Surface Area:
42.1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
140
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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