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832674-70-1 | 2-Bromo-5-ethoxy-4-hydroxybenzonitrile
CAS No: 832674-70-1 Catalog No: AG003GPI MDL No:MFCD02256061
Product Description
Catalog Number:
AG003GPI
Chemical Name:
2-Bromo-5-ethoxy-4-hydroxybenzonitrile
CAS Number:
832674-70-1
Molecular Formula:
C9H8BrNO2
Molecular Weight:
242.0693
MDL Number:
MFCD02256061
IUPAC Name:
2-bromo-5-ethoxy-4-hydroxybenzonitrile
InChI:
InChI=1S/C9H8BrNO2/c1-2-13-9-3-6(5-11)7(10)4-8(9)12/h3-4,12H,2H2,1H3
InChI Key:
RDPOLCZTDSSEHY-UHFFFAOYSA-N
SMILES:
CCOc1cc(C#N)c(cc1O)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
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