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CAS No.: | 192436-83-2 |
---|---|
Name: | 4-BROMO-N-METHOXY-N-METHYLBENZAMIDE |
Article Data: | 36 |
Molecular Structure: | |
Formula: | C9H10BrNO2 |
Molecular Weight: | 244.088 |
Synonyms: | 4-Bromo-N-methoxy-N-methylbenzamide; |
Density: | 1.459 g/cm3 |
Boiling Point: | 351.534 °C at 760 mmHg |
Flash Point: | 166.402 °C |
PSA: | 29.54000 |
LogP: | 2.08250 |
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The CAS registry number of Benzamide,4-bromo-N-methoxy-N-methyl- is 192436-83-2. This chemical's molecular formula is C9H10BrNO2 and molecular weight is 244.09. What's more, its systematic name is 4-Bromo-N-methoxy-N-methylbenzamide.
Physical properties about Benzamide,4-bromo-N-methoxy-N-methyl- are: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 38; (6)ACD/BCF (pH 7.4): 38; (7)ACD/KOC (pH 5.5): 469; (8)ACD/KOC (pH 7.4): 469; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 54.07 cm3; (15)Molar Volume: 167.271 cm3; (16)Polarizability: 21.435×10-24 cm3; (17)Surface Tension: 42.9 dyne/cm; (18)Density: 1.459 g/cm3; (19)Flash Point: 166.402 °C; (20)Enthalpy of Vaporization: 59.625 kJ/mol; (21)Boiling Point: 351.534 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Br)cc1)N(C)OC
(2)InChI: InChI=1/C9H10BrNO2/c1-11(13-2)9(12)7-3-5-8(10)6-4-7/h3-6H,1-2H3
(3)InChIKey: YEHZWOBPONLEEH-UHFFFAOYAG