English name: Bromonordiazepam
CAS number: 2894-61-3
Molecular formula: C15H11BrN2O
Molecular weight: 315.16
EINECS number: 200-838-9
MDL No. : MFCD00433892
Stats
Melting point 220-221 °C(Solv: ethyl ether (60-29-7))
Boiling point 464.8±45.0 °C(Predicted)
Density 1.51± 0.1g /cm3(Predicted)
Solubility DMF: 5 mg/mL; DMSO: 5 mg/mL; Ethanol: Slightly soluble; PBS (pH 7.2): 0.12 mg/mL
Acidity coefficient (pKa)11.72±0.70(Predicted)
Form A solid
InChIInChI = 1 s/C15H11BrN2O/c16-11-6-7-13-12 (8-11) 15, 17-9-14 (19) 18-13) 17-9-14-1-3-5-10 / h1-8 H, h2, 9 (H, 18th and 19th)
InChIKeyATCCWKYKHCKDGT-UHFFFAOYSA-N
SMILESN1C2=CC=C(Br)C=C2C(C2=CC=CC=C2)=NCC1=O
China
