81631-18-7
1H-INDOLE-3-ACETIC ACID, A-(AMINOMETHYL)-5-BROMO-, METHYL ESTER, HYDROCHLORIDE (1:1)
Name1H-INDOLE-3-ACETIC ACID, A-(AMINOMETHYL)-5-BROMO-, METHYL ESTER, HYDROCHLORIDE (1:1)
FormulaC12 H13 Br N2 O2 . Cl H
1Identification
【Name】
1H-INDOLE-3-ACETIC ACID, A-(AMINOMETHYL)-5-BROMO-, METHYL ESTER, HYDROCHLORIDE (1:1)
【CAS】
【MDL】
MFCD16037413
【English Synonyms】
【Formula】
C12 H13 Br N2 O2 . Cl H
【MolWeight】
333.612
【Inchi】
InChI=1S/C12H13BrN2O2.ClH/c1-17-12(16)9(5-14)10-6-15-11-3-2-7(13)4-8(10)11;/h2-4,6,9,15H,5,14H2,1H3;1H
【InChIKey】
InChIKey=OBIYCGQAUNJGNV-UHFFFAOYSA-N
【SMILES】
COC(=O)C(CN)c1c[nH]c2c1cc(cc2)Br.Cl
【MOL File】
1H-INDOLE-3-ACETIC A….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-INDOLE-3-ACETIC ACID, A-(AMINOMETHYL)-5-BROMO-, METHYL ESTER, HYDROCHLORIDE (1:1).cml