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CAS No.: | 105708-74-5 |
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Name: | 6-(bromomethyl)naphtho[7,8,1,2,3-nopqr]tetraphene |
Molecular Structure: | |
Formula: | C23H13Br |
Molecular Weight: | 369.2533 |
Synonyms: | 6-(Bromomethyl)naphtho[7,8,1,2,3-nopqr]tetraphene; |
Density: | 1.606 g/cm3 |
Boiling Point: | 557.3 °C at 760 mmHg |
Flash Point: | 281.7 °C |
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The CAS registry number of Dibenzo[def,mno]chrysene,6-(bromomethyl)- is 105708-74-5. This chemical's molecular formula is C23H13Br and molecular weight is 369.2533. What's more, its systematic name is 6-(Bromomethyl)naphtho[7,8,1,2,3-nopqr]tetraphene.
Physical properties about Dibenzo[def,mno]chrysene,6-(bromomethyl)- are: (1)ACD/LogP: 7.59; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.59; (4)ACD/LogD (pH 7.4): 7.59; (5)ACD/BCF (pH 5.5): 347680.34; (6)ACD/BCF (pH 7.4): 347680.34; (7)ACD/KOC (pH 5.5): 322069.66; (8)ACD/KOC (pH 7.4): 322069.66; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.98; (14)Molar Refractivity: 113.48 cm3; (15)Molar Volume: 229.8 cm3; (16)Polarizability: 44.98×10-24 cm3; (17)Surface Tension: 75.2 dyne/cm; (18)Density: 1.606 g/cm3; (19)Flash Point: 281.7 °C; (20)Enthalpy of Vaporization: 80.78 kJ/mol; (21)Boiling Point: 557.3 °C at 760 mmHg; (22)Vapour Pressure: 6.97E-12 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: BrCc5c6ccc1cccc4c1c6c3c2c5cccc2ccc3c4
(2) InChI: InChI=1/C23H13Br/c24-12-19-17-6-2-4-14-7-8-16-11-15-5-1-3-13-9-10-18(19)23(20(13)15)22(16)21(14)17/h1-11H,12H2
(3) InChIKey: OGWGPENEZHHLHI-UHFFFAOYAO