59820-91-6
7-BROMO-2,3-DIHYDRO-1,4-BENZODIOXINE-6-CARBOXYLIC ACID
Name
7-BROMO-2,3-DIHYDRO-1,4-BENZODIOXINE-6-CARBOXYLIC ACID
Formula
C9 H7 Br O4
MolWeight
259.054
1Identification
【Name】
7-BROMO-2,3-DIHYDRO-1,4-BENZODIOXINE-6-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD00510294
【English Synonyms】
【Formula】
C9 H7 Br O4
【MolWeight】
259.054
【Inchi】
InChI=1S/C9H7BrO4/c10-6-4-8-7(13-1-2-14-8)3-5(6)9(11)12/h3-4H,1-2H2,(H,11,12)
【InChIKey】
InChIKey=DMPSJWYHZMDSPL-UHFFFAOYSA-N
【SMILES】
c1c(c(cc2c1OCCO2)Br)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-BROMO-2,3-DIHYDRO-1,4-BENZODIOXINE-6-CARBOXYLIC ACID.cml
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