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1-Naphthalenecarboxylicacid, 6-bromo-

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Name

1-Naphthalenecarboxylicacid, 6-bromo-

EINECS N/A
CAS No. 51934-38-4 Density 1.649 g/cm3
PSA 37.30000 LogP 3.30050
Solubility N/A Melting Point N/A
Formula C11H7BrO2 Boiling Point 421.194 °C at 760 mmHg
Molecular Weight 251.079 Flash Point 208.531 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 51934-38-4 (6-bromonaphthalene-1-carboxylic acid) Hazard Symbols N/A
Synonyms

1-Naphthoicacid, 6-bromo- (6CI,7CI);6-Bromo-1-naphthoic acid;6-Bromonaphthalene-1-carboxylic acid .;

Article Data 9

1-Naphthalenecarboxylicacid, 6-bromo- Specification

The 1-Naphthalenecarboxylicacid, 6-bromo-, with the CAS registry number 51934-38-4, is also known as 6-Bromo-1-naphthoic acid. Its molecular formula is C11H7BrO2 and its molecular weight is 251.0761. Additionally, its systematic name is 6-bromonaphthalene-1-carboxylic acid.

Other characteristics of the 1-Naphthalenecarboxylicacid, 6-bromo- can be summarised as followings: (1)ACD/LogP: 3.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30; (8)ACD/KOC (pH 7.4): 3; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.698; (14)Molar Refractivity: 58.716 cm3; (15)Molar Volume: 152.264 cm3; (16)Polarizability: 23.277×10-24cm3; (17)Surface Tension: 59.975 dyne/cm; (18)Density: 1.649 g/cm3; (19)Flash Point: 208.531 °C; (20)Enthalpy of Vaporization: 71.18 kJ/mol; (21)Boiling Point: 421.194 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(O)c1cccc2c1ccc(Br)c2
2.InChI: InChI=1/C11H7BrO2/c12-8-4-5-9-7(6-8)2-1-3-10(9)11(13)14/h1-6H,(H,13,14)
3.InChIKey: FGUOFYYCGXFXOY-UHFFFAOYAY

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