Home Nitriles 3-Bromo-5-ethoxy-4-hydroxybenzonitrile

3-Bromo-5-ethoxy-4-hydroxybenzonitrile

CAS No.:
330462-57-2
Catalog Number:
AG003J2Q
Molecular Formula:
C9H8BrNO2
Molecular Weight:
242.0693
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Product Description
Catalog Number:
AG003J2Q
Chemical Name:
3-Bromo-5-ethoxy-4-hydroxybenzonitrile
CAS Number:
330462-57-2
Molecular Formula:
C9H8BrNO2
Molecular Weight:
242.0693
MDL Number:
MFCD01123035
IUPAC Name:
3-bromo-5-ethoxy-4-hydroxybenzonitrile
InChI:
InChI=1S/C9H8BrNO2/c1-2-13-8-4-6(5-11)3-7(10)9(8)12/h3-4,12H,2H2,1H3
InChI Key:
LJCGZWYWRSRSMU-UHFFFAOYSA-N
SMILES:
CCOc1cc(C#N)cc(c1O)Br
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.974g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.072g/mol
Monoisotopic Mass:
240.974g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties