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837408-71-6

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Basic Information
CAS No.: 837408-71-6
Name: 4-BROMO-3-(ETHOXYMETHYL)BENZALDEHYDE
Article Data: 3
Molecular Structure:
Molecular Structure of 837408-71-6 (4-BROMO-3-(ETHOXYMETHYL)BENZALDEHYDE)
Formula: C10H11BrO2
Molecular Weight: 243.1
Synonyms: 4-Bromo-3-(ethoxymethyl)benzaldehyde;
Density: 1.405 g/cm3
Boiling Point: 303.8 °C at 760 mmHg
Flash Point: 137.5 °C
PSA: 26.30000
LogP: 2.79810
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Specification

The CAS registry number of Benzaldehyde,4-bromo-3-(ethoxymethyl)- is 837408-71-6. This chemical's molecular formula is C10H11BrO2 and molecular weight is 243.09714. What's more, its systematic name is 4-Bromo-3-(ethoxymethyl)benzaldehyde.

Physical properties about Benzaldehyde,4-bromo-3-(ethoxymethyl)- are: (1) ACD/LogP: 2.84; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.84; (4) ACD/LogD (pH 7.4): 2.84; (5) ACD/BCF (pH 5.5): 85.1; (6) ACD/BCF (pH 7.4): 85.1; (7) ACD/KOC (pH 5.5): 837.61; (8) ACD/KOC (pH 7.4): 837.61; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 26.3 Å2; (13) Index of Refraction: 1.568; (14) Molar Refractivity: 56.62 cm3; (15) Molar Volume: 172.9 cm3; (16) Polarizability: 22.44×10-24 cm3; (17) Surface Tension: 41.4 dyne/cm; (18) Density: 1.405 g/cm3; (19) Flash Point: 137.5 °C; (20) Enthalpy of Vaporization: 54.41 kJ/mol; (21) Boiling Point: 303.8 °C at 760 mmHg; (22) Vapour Pressure: 0.000913 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc(cc1COCC)C=O
(2) InChI: InChI=1/C10H11BrO2/c1-2-13-7-9-5-8(6-12)3-4-10(9)11/h3-6H,2,7H2,1H3
(3) InChIKey: PUISGMXQLYGTLX-UHFFFAOYAV