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Basic Information
CAS No.: 129686-16-4
Name: 6-Bromo-3,4-dihydro-1H-[1,8]naphthyridin-2-one
Molecular Structure:
Molecular Structure of 129686-16-4 (6-Bromo-3,4-dihydro-1H-[1,8]naphthyridin-2-one)
Formula: C8H7BrN2O
Molecular Weight: 227.06
Synonyms: 6-Bromo-3,4-dihydro-1,8-naphthyridin-2(1H)-one;
EINECS: 251-156-6
Density: 1.643 g/cm3
Melting Point: 265-267 °C
Boiling Point: 398.2 °C at 760 mmHg
Flash Point: 194.625 °C
Appearance: Off- white to yellow solid
PSA: 41.99000
LogP: 1.86680
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Specification

The CAS register number of 6-Bromo-3,4-dihydro-1H-[1,8]naphthyridin-2-one is 129686-16-4. It also can be called as 1,8-Naphthyridin-2(1H)-one,6-bromo-3,4-dihydro- and the systematic name about this chemical is 6-bromo-3,4-dihydro-1,8-naphthyridin-2(1H)-one. It belongs to the following product categories, such as Aromatics Compounds, pyridine, Aromatics, Heterocycles and so on.

Physical properties about 6-Bromo-3,4-dihydro-1H-[1,8]naphthyridin-2-one are: (1)ACD/LogP: 0.83; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 27; (5)ACD/BCF (pH 7.4): 27; (6)ACD/KOC (pH 5.5): 364; (7)ACD/KOC (pH 7.4): 364; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 41.99Å2; (11)Index of Refraction: 1.606; (12)Molar Refractivity: 47.687 cm3; (13)Molar Volume: 138.202 cm3; (14)Polarizability: 18.905x10-24cm3; (15)Surface Tension: 52.81 dyne/cm; (16)Enthalpy of Vaporization: 64.875 kJ/mol; (17)Boiling Point: 398.2 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cnc2NC(=O)CCc2c1
(2)InChI: InChI=1/C8H7BrN2O/c9-6-3-5-1-2-7(12)11-8(5)10-4-6/h3-4H,1-2H2,(H,10,11,12)
(3)InChIKey: VJEOGGNIBLORIJ-UHFFFAOYAA
(4) Std. InChI: InChI=1S/C8H7BrN2O/c9-6-3-5-1-2-7(12)11-8(5)10-4-6/h3-4H,1-2H2,(H,10,11,12)
(5)Std. InChIKey: VJEOGGNIBLORIJ-UHFFFAOYSA-N