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Ethyl 4-bromobenzoate	NEW: Predict NMR spectrum	RN:  5798-75-4 MF:  C9H9BrO2 MW:  229.07326 bp (°C):  129  - 131  (p=14 torr) mp (°C):  18 density:  1.43 nd:  1.544  - 1.547
InChI:  1S/C9H9BrO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3 InChIKey:  XZIAFENWXIQIKR-UHFFFAOYSA-N	H donor:  0 H acceptor:  2 Rotatable bond:  3 Stereocenter:  0	cLogP:  3.089 cLogS:  -2.891 Polar surface:  26.3
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