Home Nitros 5-Bromo-2-isobutoxy-3-nitrotoluene

5-Bromo-2-isobutoxy-3-nitrotoluene

CAS No.:
1381944-70-2
Catalog Number:
AG00187Q
Molecular Formula:
C11H14BrNO3
Molecular Weight:
288.1378
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$175
- +
1g
98%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG00187Q
Chemical Name:
5-Bromo-2-isobutoxy-3-nitrotoluene
CAS Number:
1381944-70-2
Molecular Formula:
C11H14BrNO3
Molecular Weight:
288.1378
MDL Number:
MFCD22375008
IUPAC Name:
5-bromo-1-methyl-2-(2-methylpropoxy)-3-nitrobenzene
InChI:
InChI=1S/C11H14BrNO3/c1-7(2)6-16-11-8(3)4-9(12)5-10(11)13(14)15/h4-5,7H,6H2,1-3H3
InChI Key:
HPYQEDDPXXYXII-UHFFFAOYSA-N
SMILES:
CC(COc1c(C)cc(cc1[N+](=O)[O-])Br)C
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.016g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.141g/mol
Monoisotopic Mass:
287.016g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties