850411-18-6
8-BROMO-1-METHYL-1,3,3A,4,5,9B-HEXAHYDRO-NAPHTHO[1,2-C]ISOXAZOLE-3-CARBOXYLIC ACID METHYL ESTER
Name
8-BROMO-1-METHYL-1,3,3A,4,5,9B-HEXAHYDRO-NAPHTHO[1,2-C]ISOXAZOLE-3-CARBOXYLIC ACID METHYL ESTER
Formula
C14 H16 Br N O3
MolWeight
326.188
1Identification
【Name】
8-BROMO-1-METHYL-1,3,3A,4,5,9B-HEXAHYDRO-NAPHTHO[1,2-C]ISOXAZOLE-3-CARBOXYLIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD12024831
【English Synonyms】
【Formula】
C14 H16 Br N O3
【MolWeight】
326.188
【Inchi】
InChI=1S/C14H16BrNO3/c1-16-12-10(13(19-16)14(17)18-2)6-4-8-3-5-9(15)7-11(8)12/h3,5,7,10,12-13H,4,6H2,1-2H3
【InChIKey】
InChIKey=GHFSSFASUIHPJY-UHFFFAOYSA-N
【SMILES】
CN1C2c3cc(ccc3CCC2C(O1)C(=O)OC)Br
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-BROMO-1-METHYL-1,3,3A,4,5,9B-HEXAHYDRO-NAPHTHO[1,2-C]ISOXAZOLE-3-CARBOXYLIC ACID METHYL ESTER.cml
Quick Release
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