CAS Registry Number: 412947-54-7

Name:

Benzoic acid, 3-​amino-​4-​iodo-​, methyl ester
3-​Amino-​4-​iodobenzoic acid methyl ester; Methyl 3-​amino-​4-​iodobenzoate 

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)5-2-3-6(9)7(10)4-5/h2-4H,10H2,1H3
InChIKey: WJEBNIVVLJEIKE-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC(=C(C=C1)I)N

Specification

98%

(1) Roschangar, Frank; Tetrahedron Letters 2008, V49(2), P363-366 CAPLUS