4-Bromo-3,5-dihydroxy-N-methylbenzamide supplier

Name
4-Bromo-3,5-dihydroxy-N-methylbenzamide
EINECS 260-137-9
CAS No. 56375-85-0
Density 1.722 g/cm³
Solubility
Melting Point
Formula C₈H₈BrNO₃
Boiling Point 311.8 °C at 760 mmHg
Molecular Weight 246.058
Flash Point 142.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,5-DIHYDROXY-4-BROMO-N-METHYLBENZAMIDE;4-Bromo-3,5-dihydroxy-N-methylbenzamide;KUPLER;4-BROMO-3,5-DIHYDROXY BENZOIC ACID METHYLAMIDE;4-Bromo-ALPHA-resorcylic acid methylamide;Einecs 260-137-9
PSA 69.56000
LogP 1.61080

4-Bromo-3,5-dihydroxy-N-methylbenzamide Specification

The 4-Bromo-3,5-dihydroxy-N-methylbenzamide, with cas registry number 56375-85-0, has the systematic name of 4-bromo-3,5-dihydroxy-N-methylbenzamide. And its IUPAC name is the same one. Besides this, it is also called benzamide, 4-bromo-3,5-dihydroxy-N-methyl-.

Physical properties about this chemical are: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.54; (4)ACD/LogD (pH 7.4): 1.06; (5)ACD/BCF (pH 5.5): 8.67; (6)ACD/BCF (pH 7.4): 2.9; (7)ACD/KOC (pH 5.5): 162.21; (8)ACD/KOC (pH 7.4): 54.17; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 51.32 cm³; (15)Molar Volume: 142.8 cm³; (16)Polarizability: 20.34×10^-24cm³; (17)Surface Tension: 62.1 dyne/cm; (18)Enthalpy of Vaporization: 57.47 kJ/mol; (19)Vapour Pressure: 0.000301 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1c(O)cc(C(=O)NC)cc1O
(2)InChI: InChI=1/C8H8BrNO3/c1-10-8(13)4-2-5(11)7(9)6(12)3-4/h2-3,11-12H,1H3,(H,10,13)
(3)InChIKey: QERSTEVWBUZWQF-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C8H8BrNO3/c1-10-8(13)4-2-5(11)7(9)6(12)3-4/h2-3,11-12H,1H3,(H,10,13)
(5)Std. InChIKey: QERSTEVWBUZWQF-UHFFFAOYSA-N

Product Name

4-Bromo-3,5-dihydroxy-N-methylbenzamide

4-Bromo-3,5-dihydroxy-N-methylbenzamide Specification

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