Home Nitriles 3-Bromo-4-isopropoxy-5-methoxybenzonitrile

3-Bromo-4-isopropoxy-5-methoxybenzonitrile

CAS No.:
515848-62-1
Catalog Number:
AG003J20
Molecular Formula:
C11H12BrNO2
Molecular Weight:
270.1225
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Product Description
Catalog Number:
AG003J20
Chemical Name:
3-Bromo-4-isopropoxy-5-methoxybenzonitrile
CAS Number:
515848-62-1
Molecular Formula:
C11H12BrNO2
Molecular Weight:
270.1225
MDL Number:
MFCD02256549
IUPAC Name:
3-bromo-5-methoxy-4-propan-2-yloxybenzonitrile
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
InChI Key:
DNCFZWKSHFLLGT-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)c(c(c1)OC)OC(C)C
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.005g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.126g/mol
Monoisotopic Mass:
269.005g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties