CAS No.100707-39-9,5-Bromo-2-methyl-4-pyrimidinecarboxylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	100707-39-9
Name:	5-Bromo-2-methyl-4-pyrimidinecarboxylic acid

Formula:	C₆H₅BrN₂O₂
Molecular Weight:	217.022
Synonyms:	2-Methyl-5-bromopyrimidine-4-carboxylicacid;NSC 82651;
Density:	1.795 g/cm³
Melting Point:	172-173 °C (decomp)(Solv: methanol (67-56-1))
Boiling Point:	335.169 °C at 760 mmHg
Flash Point:	156.505 °C
PSA:	63.08000
LogP:	1.24570

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Specification

The 5-Bromo-2-methylpyrimidine-4-carboxylic acid with its cas register number is 100707-39-9. It also can be called as 4-Pyrimidinecarboxylicacid, 5-bromo-2-methyl- and the IUPAC Name about this chemical is 5-bromo-2-methylpyrimidine-4-carboxylic acid. It belongs to the pharmacetical.

Physical properties about 5-Bromo-2-methylpyrimidine-4-carboxylic acid are: (1)ACD/LogP: 1.34; (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: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 63.08Å²; (10)Index of Refraction: 1.61; (11)Molar Refractivity: 41.881 cm³; (12)Molar Volume: 120.87 cm³; (13)Polarizability: 16.603x10^-24cm³; (14)Surface Tension: 67.02 dyne/cm; (15)Enthalpy of Vaporization: 61.029 kJ/mol.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NC=C(C(=N1)C(=O)O)Br
(2)InChI: InChI=1S/C6H5BrN2O2/c1-3-8-2-4(7)5(9-3)6(10)11/h2H,1H3,(H,10,11
(3)InChIKey: MDERWSRHRJUWNS-UHFFFAOYSA-N