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799766-13-5

Basic Information
CAS No.: 799766-13-5
Name: Benzofuran, 7-bromo-4-methyl- (9CI)
Article Data: 3
Molecular Structure:
Molecular Structure of 799766-13-5 (Benzofuran, 7-bromo-4-methyl- (9CI))
Formula: C9H7BrO
Molecular Weight: 211.058
Synonyms: 7-Bromo-4-methylbenzofuran;
Density: 1.52 g/cm3
Boiling Point: 261.5 °C at 760 mmHg
Flash Point: 111.9 °C
PSA: 13.14000
LogP: 3.50370
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Specification

The Benzofuran,7-bromo-4-methyl- is an organic compound with the formula C9H7BrO. The systematic name of this chemical is 7-bromo-4-methyl-1-benzofuran. With the CAS registry number 799766-13-5, it is also named as 7-bromo-4-methylbenzo[b]furan. The product's category is Methyl.

Physical properties about Benzofuran,7-bromo-4-methyl- are: (1)ACD/LogP: 3.90; (2)ACD/LogD (pH 5.5): 3.9; (3)ACD/LogD (pH 7.4): 3.9; (4)ACD/BCF (pH 5.5): 543.7; (5)ACD/BCF (pH 7.4): 543.7; (6)ACD/KOC (pH 5.5): 3159.18; (7)CD/KOC (pH 7.4): 3159.18; (8)#H bond acceptors: 1; (9)Polar Surface Area: 13.14 Å2; (10)Index of Refraction: 1.622; (11)Molar Refractivity: 48.91 cm3; (12)Molar Volume: 138.8 cm3; (13)Polarizability: 19.38×10-24cm3; (14)Surface Tension: 41.9 dyne/cm; (15)Density: 1.52 g/cm3; (16)Flash Point: 111.9 °C; (17)Enthalpy of Vaporization: 47.91 kJ/mol; (18)Boiling Point: 261.5 °C at 760 mmHg; (19)Vapour Pressure: 0.0187 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(Br)c2occc12
(2)InChI: InChI=1/C9H7BrO/c1-6-2-3-8(10)9-7(6)4-5-11-9/h2-5H,1H3
(3)InChIKey: GSSLPAYCQRXDCE-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C9H7BrO/c1-6-2-3-8(10)9-7(6)4-5-11-9/h2-5H,1H3
(5)Std. InChIKey: GSSLPAYCQRXDCE-UHFFFAOYSA-N