Products Categories
CAS No.: | 2426-84-8 |
---|---|
Name: | 4-(Benzyloxy)-5-methoxy-2-nitrobenzaldehyde |
Article Data: | 35 |
Molecular Structure: | |
Formula: | C15H13NO5 |
Molecular Weight: | 287.272 |
Synonyms: | Benzaldehyde, 4-benzyloxy-5-methoxy-2-nitro-; |
Density: | 1.296 g/cm3 |
Melting Point: | 133 °C |
Boiling Point: | 488 °C at 760 mmHg |
Flash Point: | 218.9 °C |
What can I do for you?
Get Best Price
The 4-(Benzyloxy)-5-methoxy-2-nitrobenzaldehyde, with the CAS registry number of 2426-84-8, is also known as Benzaldehyde, 4-benzyloxy-5-methoxy-2-nitro-. This chemical's molecular formula is C15H13NO5 and molecular weight is 287.27. What's more, its systematic name is 4-(Benzyloxy)-5-methoxy-2-nitrobenzaldehyde.
Physical properties about the 4-(Benzyloxy)-5-methoxy-2-nitrobenzaldehyde are: (1)ACD/LogP: 3.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.84; (4)ACD/LogD (pH 7.4): 3.84; (5)ACD/BCF (pH 5.5): 486.07; (6) ACD/BCF (pH 7.4): 486.07; (7)ACD/KOC (pH 5.5): 2915.71; (8)ACD/KOC (pH 7.4): 2915.71; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 81.35 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 77.39 cm3; (15)Molar Volume: 221.6 cm3; (16)Surface Tension: 51.3 dyne/cm; (17)Density: 1.296 g/cm3; (18)Flash Point: 218.9 °C; (19)Enthalpy of Vaporization: 75.41 kJ/mol; (20)Boiling Point: 488 °C at 760 mmHg; (21)Vapour Pressure: 1.13E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES:[O-][N+](=O)c2cc(OCc1ccccc1)c(OC)cc2C=O
(2) InChI:InChI=1/C15H13NO5/c1-20-14-7-12(9-17)13(16(18)19)8-15(14)21-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
(3) InChIKey:WKDLWHKMVQVRNO-UHFFFAOYAQ