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1150617-57-4

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Basic Information
CAS No.: 1150617-57-4
Name: 1-(Bromomethyl)-4-cyclopropylbenzene
Article Data: 3
Molecular Structure:
Molecular Structure of 1150617-57-4 (1-(Bromomethyl)-4-cyclopropylbenzene)
Formula: C10H11Br
Molecular Weight: 211.101
Synonyms: 1-(Bromomethyl)-4-cyclopropyl-benzene;
Density: 1.437 g/cm3
Boiling Point: 272.079 °C at 760 mmHg
Flash Point: 127.265 °C
PSA: 0.00000
LogP: 3.45890
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Specification

The 1-(Bromomethyl)-4-cyclopropylbenzene has CAS registry number 1150617-57-4. This chemical's molecular formula is C10H11Br and molecular weight is 210.00. What's more, its systematic name is 1-(Bromomethyl)-4-cyclopropyl-benzene.

Physical properties about 1-(Bromomethyl)-4-cyclopropylbenzene are: (1)ACD/LogP: 3.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.618; (4)ACD/LogD (pH 7.4): 3.618; (5)ACD/BCF (pH 5.5): 331.001; (6)ACD/BCF (pH 7.4): 331.001; (7)ACD/KOC (pH 5.5): 2214.616; (8)ACD/KOC (pH 7.4): 2214.616; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 50.928 cm3; (15)Molar Volume: 146.916 cm3; (16)Polarizability: 20.189×10-24 cm3; (17)Surface Tension: 45.929 dyne/cm; (18)Density: 1.437 g/cm3; (19)Flash Point: 127.265 °C; (20)Enthalpy of Vaporization: 48.98 kJ/mol; (21)Boiling Point: 272.079 °C at 760 mmHg; (22)Vapour Pressure: 0.01 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(ccc1CBr)C2CC2
(2) InChI: InChI=1S/C10H11Br/c11-7-8-1-3-9(4-2-8)10-5-6-10/h1-4,10H,5-7H2
(3) InChIKey: KMPVJTGKGHWUJX-UHFFFAOYSA-N