CAS No.120040-42-8,2-AMINO-6-BROMOPYRIDO[2,3-D]PYRIMIDIN-4(3H)-ONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	120040-42-8
Name:	2-AMINO-6-BROMOPYRIDO[2,3-D]PYRIMIDIN-4(3H)-ONE
Article Data:	4

Formula:	C₇H₅BrN₄O
Molecular Weight:	241.047
Synonyms:	Pyrido[2,3-d]pyrimidin-4(1H)-one,2-amino-6-bromo- (9CI);2-Amino-6-bromopyrido[2,3-d]pyrimidin-4-ol;
Density:	2.006 g/cm³
Boiling Point:	508.9 °C at 760 mmHg
Flash Point:	261.6 °C
PSA:	84.66000
LogP:	1.24400

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Specification

The Pyrido[2, 3-d]pyrimidin-4(3H)-one, 2-amino-6-bromo-, with the CAS registry number 120040-42-8, is also known as 2-Amino-6-bromopyrido[2, 3-d]pyrimidin-4(3H)-one. This chemical's molecular formula is C₇H₅BrN₄O and molecular weight is 241.04. What's more, its systematic name is 2-Amino-6-bromopyrido[2, 3-d]pyrimidin-4-ol.

Physical properties about Pyrido[2, 3-d]pyrimidin-4(3H)-one, 2-amino-6-bromo- are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 84.92 Å²; (10)Index of Refraction: 1.817; (11)Molar Refractivity: 52.17 cm³; (12)Molar Volume: 120.1 cm³; (13)Polarizability: 20.68×10^-24 cm³; (14)Surface Tension: 105.4 dyne/cm; (15)Density: 2.006 g/cm³; (16)Flash Point: 261.6 °C; (17)Enthalpy of Vaporization: 80.88 kJ/mol; (18)Boiling Point: 508.9 °C at 760 mmHg; (19)Vapour Pressure: 5.6E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc2nc(N)nc1ncc(Br)cc12
(2) InChI: InChI=1/C7H5BrN4O/c8-3-1-4-5(10-2-3)11-7(9)12-6(4)13/h1-2H,(H3,9,10,11,12,13)
(3) InChIKey: NEKHFIILORMMHG-UHFFFAOYAJ