Home Nitriles 2-Bromo-4-ethoxy-5-methoxybenzonitrile

2-Bromo-4-ethoxy-5-methoxybenzonitrile

CAS No.:
515846-45-4
Catalog Number:
AG003GO2
Molecular Formula:
C10H10BrNO2
Molecular Weight:
256.0959
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Product Description
Catalog Number:
AG003GO2
Chemical Name:
2-Bromo-4-ethoxy-5-methoxybenzonitrile
CAS Number:
515846-45-4
Molecular Formula:
C10H10BrNO2
Molecular Weight:
256.0959
MDL Number:
MFCD02256766
IUPAC Name:
2-bromo-4-ethoxy-5-methoxybenzonitrile
InChI:
InChI=1S/C10H10BrNO2/c1-3-14-10-5-8(11)7(6-12)4-9(10)13-2/h4-5H,3H2,1-2H3
InChI Key:
DQVRTBPRKJRONY-UHFFFAOYSA-N
SMILES:
CCOc1cc(Br)c(cc1OC)C#N
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.989g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.099g/mol
Monoisotopic Mass:
254.989g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties