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3-Bromotetrahydrofuran (19311-37-6)

Identification
Name:3-Bromotetrahydrofuran
Synonyms:4-(5-bromotetrahydrofuran-2-yl)-8-methyl-5H-indeno[1,2-d]pyrimidin-2-amine;
CAS:19311-37-6
Molecular Formula: C4H7BrO
Molecular Weight: 151.00
InChI: InChI=1/C4H7BrO/c5-4-1-2-6-3-4/h4H,1-3H2
Molecular Structure: (C4H7BrO) 4-(5-bromotetrahydrofuran-2-yl)-8-methyl-5H-indeno[1,2-d]pyrimidin-2-amine;
Properties
Density:1.558g/cm3
Refractive index:1.503
Specification:

The 3-Bromotetrahydrofuran, with cas registry number 19311-37-6, has the systematic name of 4-(5-bromotetrahydrofuran-2-yl)-8-methyl-5H-indeno[1,2-d]pyrimidin-2-amine. And it is also named 5H-indeno[1,2-d]pyrimidin-2-amine, 4-(5-bromotetrahydro-2-furanyl)-8-methyl-.

Physical properties about this chemical are: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.55; (4)ACD/LogD (pH 7.4): 2.56; (5)ACD/BCF (pH 5.5): 51.46; (6)ACD/BCF (pH 7.4): 51.57; (7)ACD/KOC (pH 5.5): 584.06; (8)ACD/KOC (pH 7.4): 585.24; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 61.03 Å2; (13)Index of Refraction: 1.691; (14)Molar Refractivity: 85.06 cm3; (15)Molar Volume: 222.2 cm3; (16)Polarizability: 33.72×10-24cm3; (17)Surface Tension: 68.7 dyne/cm; (18)Enthalpy of Vaporization: 84.16 kJ/mol; (19)Vapour Pressure: 1.53E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES:Cc1ccc2c(c1)-c3c(c(nc(n3)N)C4CCC(O4)Br)C2;
(2)InChI:InChI=1/C16H16BrN3O/c1-8-2-3-9-7-11-14(10(9)6-8)19-16(18)20-15(11)12-4-5-13(17)21-12/h2-3,6,12-13H,4-5,7H2,1H3,(H2,18,19,20);
(3)InChIKey:CNDPNXGEKIICHK-UHFFFAOYAH;
(4)Std. InChI:InChI=1S/C16H16BrN3O/c1-8-2-3-9-7-11-14(10(9)6-8)19-16(18)20-15(11)12-4-5-13(17)21-12/h2-3,6,12-13H,4-5,7H2,1H3,(H2,18,19,20);
(5)Std. InChIKey:CNDPNXGEKIICHK-UHFFFAOYSA-N.

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