CAS No.90765-02-9,2-ACETAMIDO-5-NITRO-4-PICOLINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	90765-02-9
Name:	2-ACETAMIDO-5-NITRO-4-PICOLINE
Article Data:	5

Formula:	C₈H₉N₃O₃
Molecular Weight:	195.178
Synonyms:	4-Picoline,2-acetamido-5-nitro- (7CI);
Density:	1.357g/cm³
Melting Point:	157℃
Boiling Point:	421.508 °C at 760 mmHg
Flash Point:	208.721 °C
PSA:	87.81000
LogP:	1.85280

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Specification

The Acetamide,N-(4-methyl-5-nitro-2-pyridinyl)-, with CAS registry number 90765-02-9, belongs to the following product categories: (1)Pyridine; (2)Heterocyclic Compounds; (3)Pyridines. It has the systematic name of N-(4-methyl-5-nitropyridin-2-yl)acetamide. And the chemical formula of this chemical is C₈H₉N₃O₃.

Physical properties of Acetamide,N-(4-methyl-5-nitro-2-pyridinyl)-: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 10; (6)ACD/BCF (pH 7.4): 10; (7)ACD/KOC (pH 5.5): 178; (8)ACD/KOC (pH 7.4): 178; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 87.81 Å²; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 49.987 cm³; (15)Molar Volume: 143.857 cm³; (16)Polarizability: 19.816×10^-24cm³; (17)Surface Tension: 58.759 dyne/cm; (18)Enthalpy of Vaporization: 67.553 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)Nc1cc(C)c(cn1)N(=O)=O
(2)InChI: InChI=1/C8H9N3O3/c1-5-3-8(10-6(2)12)9-4-7(5)11(13)14/h3-4H,1-2H3,(H,9,10,12)
(3)InChIKey: RXLYNDDWAMZCDD-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C8H9N3O3/c1-5-3-8(10-6(2)12)9-4-7(5)11(13)14/h3-4H,1-2H3,(H,9,10,12)
(5)Std. InChIKey: RXLYNDDWAMZCDD-UHFFFAOYSA-N