CAS Registry Number: 77317-55-6

Name:

Benzoic acid, 2-​amino-​5-​iodo-​, methyl ester
Anthranilic acid, 5-​iodo-​, methyl ester (6CI); 2-​Amino-​5-​iodobenzoic acid methyl ester; 5-​Iodoanthranilic acid methyl ester; Methyl 2-​amino-​5-​iodobenzoate; Methyl 5-​iodoanthranilate

Chemical Formula: C8H8INO2
Exact Mass: 276.96
Molecular Weight: 277.06
m/z: 276.96 (100.0%), 277.96 (9.1%)
Elemental Analysis: C, 34.68; H, 2.91; I, 45.80; N, 5.06; O, 11.55

InChI: InChI=1S/C8H8INO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3
InChIKey: NNXVARLKWUFGGG-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C=CC(=C1)I)N

Specification

98%

1. (1) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
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5. (5) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
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