3-Bromo-4-isopropoxy-5-methoxybenzonitrile

Catalog No: FT-0679455

CAS No: 515848-62-1

Chemical Name: 3-Bromo-4-isopropoxy-5-methoxybenzonitrile
Molecular Formula: C11H12BrNO2
Molecular Weight: 270.12
InChI Key: DNCFZWKSHFLLGT-UHFFFAOYSA-N
InChI: InChI=1S/C11H12BrNO2/c1-7(2)15-11-9(12)4-8(6-13)5-10(11)14-3/h4-5,7H,1-3H3

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:	3-Bromo-4-isopropoxy-5-methoxybenzonitrile
Flash_Point:	144.6ºC
Melting_Point:	N/A
FW:	270.12200
Density:	1.41g/cm3
CAS:	515848-62-1
Bolling_Point:	315.5ºC at 760 mmHg
MF:	C11H12BrNO2

Density:	1.41g/cm3
Computational_Chemistry:	['1. XlogP :31 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 422 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :248 ', '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']
LogP:	3.11658
Flash_Point:	144.6ºC
Refractive_Index:	1.55
FW:	270.12200
PSA:	42.25000
MF:	C11H12BrNO2
Bolling_Point:	315.5ºC at 760 mmHg
Exact_Mass:	269.00500