5-tert-Butoxycarbonylamino-2-chloro-isonicotinic acid

Catalog No: FT-0682827

CAS No: 171178-46-4

Chemical Name: 5-tert-Butoxycarbonylamino-2-chloro-isonicotinic acid
Molecular Formula: C11H13ClN2O4
Molecular Weight: 272.68 g/mol
InChI Key: KOSPRFUMGCNGFJ-UHFFFAOYSA-N
InChI: InChI=1S/C11H13ClN2O4/c1-11(2,3)18-10(17)14-7-5-13-8(12)4-6(7)9(15)16/h4-5H,1-3H3,(H,14,17)(H,15,16)

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Product_Name:	2-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid
Flash_Point:	208.2±28.7 °C
Melting_Point:	N/A
FW:	272.685
Density:	1.4±0.1 g/cm3
CAS:	171178-46-4
Bolling_Point:	420.6±45.0 °C at 760 mmHg
MF:	C11H13ClN2O4

Molecular_Structure:	['1 . Molar refractive index 6605 ', '2 . Molar volume 1961 ', '3 . Parachor （902K）5372 ', '4 . Surface tension 562 ', '5 . Polarizability 2618']
LogP:	4.38
Flash_Point:	208.2±28.7 °C
Refractive_Index:	1.588
FW:	272.685
Density:	1.4±0.1 g/cm3
Bolling_Point:	420.6±45.0 °C at 760 mmHg
Computational_Chemistry:	['1. XlogP :25 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :4 ', '6. TPSA 885 ', '7. Heavy Atom Count :18 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :330 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
PSA:	88.52000
Exact_Mass:	272.056396
Vapor_Pressure:	0.0±1.0 mmHg at 25°C
MF:	C11H13ClN2O4