753455-45-7
BENZO[B]THIOPHENE-2-CARBOXYLIC ACID, 4-BROMO-6-CYANO-, METHYL ESTER
NameBENZO[B]THIOPHENE-2-CARBOXYLIC ACID, 4-BROMO-6-CYANO-, METHYL ESTER
1Identification
【Name】
BENZO[B]THIOPHENE-2-CARBOXYLIC ACID, 4-BROMO-6-CYANO-, METHYL ESTER
【CAS】
【MDL】
MFCD13180843
【English Synonyms】
【Formula】
C11 H6 Br N O2 S
【MolWeight】
296.143
【Inchi】
InChI=1S/C11H6BrNO2S/c1-15-11(14)10-4-7-8(12)2-6(5-13)3-9(7)16-10/h2-4H,1H3
【InChIKey】
InChIKey=OMXBLPRXQZAGMJ-UHFFFAOYSA-N
【SMILES】
COC(=O)c1cc2c(s1)cc(cc2Br)C#N
【MOL File】
BENZO[B]THIOPHENE-2-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZO[B]THIOPHENE-2-CARBOXYLIC ACID, 4-BROMO-6-CYANO-, METHYL ESTER.cml