The CAS register number of 2-Heptene, 1-bromo-, (2E)- is 35349-80-5. The systematic name about this chemical is (2E)-1-bromohept-2-ene. The molecular formula about this chemical is C7H13Br and the molecular weight is 177.08422.
Physical properties about 2-Heptene, 1-bromo-, (2E)- are: (1)ACD/LogP: 3.91; (2)ACD/LogD (pH 5.5): 3.91; (3)ACD/LogD (pH 7.4): 3.91; (4)ACD/BCF (pH 5.5): 547.88; (5)ACD/BCF (pH 7.4): 547.88; (6)ACD/KOC (pH 5.5): 3176.52; (7)ACD/KOC (pH 7.4): 3176.52; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: Å2; (10)Index of Refraction: 1.472; (11)Molar Refractivity: 42.26 cm3; (12)Molar Volume: 150.8 cm3; (13)Polarizability: 16.75x10-24cm3; (14)Surface Tension: 28.9 dyne/cm; (15)Density: 1.173 g/cm3; (16)Flash Point: 56 °C; (17)Enthalpy of Vaporization: 39.41 kJ/mol; (18)Boiling Point: 174.7 °C at 760 mmHg; (19)Vapour Pressure: 1.6 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrC/C=C/CCCC
(2)InChI: InChI=1/C7H13Br/c1-2-3-4-5-6-7-8/h5-6H,2-4,7H2,1H3/b6-5+
(3)InChIKey: OWNFMPKLXRVOQC-AATRIKPKBE
(4)Std. InChI: InChI=1S/C7H13Br/c1-2-3-4-5-6-7-8/h5-6H,2-4,7H2,1H3/b6-5+
(5)Std. InChIKey: OWNFMPKLXRVOQC-AATRIKPKSA-N
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