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953039-65-1

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Basic Information
CAS No.: 953039-65-1
Name: 7-BROMOQUINAZOLIN-2(1H)-ONE
Article Data: 3
Molecular Structure:
Molecular Structure of 953039-65-1 (7-BROMOQUINAZOLIN-2(1H)-ONE)
Formula: C8H5BrN2O
Molecular Weight: 225.044
Synonyms: 7-BROMOQUINAZOLIN-2(1H)-ONE;7-broMo-1,2-dihydroquinazolin-2-one;2(1H)-Quinazolinone, 7-broMo-
Density: 1.82 g/cm3
PSA: 45.75000
LogP: 1.68560
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Specification

The 2(1H)-Quinazolinone,7-bromo- is an organic compound with the formula C8H5BrN2O. With the CAS registry number 953039-65-1, the systematic name of this chemical is 7-Bromoquinazolin-2(1H)-one.

Physical properties about 2(1H)-Quinazolinone,7-bromo- are: (1)ACD/LogP: 2.03; (2)ACD/LogD (pH 5.5): 2.03; (3)ACD/LogD (pH 7.4): 2.03; (4)ACD/BCF (pH 5.5): 20.52; (5)ACD/BCF (pH 7.4): 20.52; (6)ACD/KOC (pH 5.5): 302.59; (7)ACD/KOC (pH 7.4): 302.56; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 41.46 Å2; (11)Index of Refraction: 1.72; (12)Molar Refractivity: 48.82 cm3; (13)Molar Volume: 123.5 cm3; (14)Polarizability: 19.35×10-24cm3; (15)Surface Tension: 59 dyne/cmDensity: 1.82 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2cnc(=O)[nH]c2cc1Br
(2)InChI: InChI=1/C8H5BrN2O/c9-6-2-1-5-4-10-8(12)11-7(5)3-6/h1-4H,(H,10,11,12)
(3)InChIKey: ULVGFLUEASNJTP-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H5BrN2O/c9-6-2-1-5-4-10-8(12)11-7(5)3-6/h1-4H,(H,10,11,12)
(5)Std. InChIKey: ULVGFLUEASNJTP-UHFFFAOYSA-N