158532-02-6
METHYL 3-(3-BROMO-4-HYDROXY-5-METHOXYPHENYL)-2-CYANOACRYLATE
NameMETHYL 3-(3-BROMO-4-HYDROXY-5-METHOXYPHENYL)-2-CYANOACRYLATE
1Identification
【Name】
METHYL 3-(3-BROMO-4-HYDROXY-5-METHOXYPHENYL)-2-CYANOACRYLATE
【CAS】
【MDL】
MFCD00276085
【English Synonyms】
【Formula】
C12 H10 Br N O4
【MolWeight】
312.118
【Inchi】
InChI=1S/C12H10BrNO4/c1-17-10-5-7(4-9(13)11(10)15)3-8(6-14)12(16)18-2/h3-5,15H,1-2H3/b8-3+
【InChIKey】
InChIKey=XXWJAOMZVYOUKL-FPYGCLRLSA-N
【SMILES】
COc1cc(cc(c1O)Br)/C=C(\C#N)/C(=O)OC
【MOL File】
METHYL 3-(3-BROMO-4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 3-(3-BROMO-4-HYDROXY-5-METHOXYPHENYL)-2-CYANOACRYLATE.cml