Benzoic acid, 2-amino-4-iodo-, methyl ester


Chemical Name: Benzoic acid, 2-amino-4-iodo-, methyl ester
CAS Number: 144550-76-5
Product Number: AG001JQQ(AGN-PC-022R5O)
Synonyms:
MDL No:
Molecular Formula: C8H8INO2
Molecular Weight: 277.0591

Identification/Properties


Computed Properties
Molecular Weight:
277.061g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
276.96g/mol
Monoisotopic Mass:
276.96g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
174
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

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NMR Spectrum


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