52938-96-2
5-(4-溴苯基)-2-糠酸
Name
5-(4-溴苯基)-2-糠酸
pro_formula
C11 H7 Br O3
pro_molWeight
267.077
1Identification
【Name】
5-(4-溴苯基)-2-糠酸
【CAS】
【MDL】
MFCD00194276
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C11 H7 Br O3
【pro_molWeight】
267.077
【Inchi】
InChI=1S/C11H7BrO3/c12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
【InChIKey】
InChIKey=MYPDSPQSFHXXTF-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1c2ccc(o2)C(=O)O)Br
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:3
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
【secure_wgk_germany】
3
4CMLFile
5-(4-溴苯基)-2-糠酸.cml
quick_release
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