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330462-58-3 | Benzonitrile, 3-ethoxy-4-hydroxy-5-iodo-
CAS No: 330462-58-3 Catalog No: AG00CLGJ MDL No:
Product Description
Catalog Number:
AG00CLGJ
Chemical Name:
Benzonitrile, 3-ethoxy-4-hydroxy-5-iodo-
CAS Number:
330462-58-3
IUPAC Name:
3-ethoxy-4-hydroxy-5-iodobenzonitrile
InChI:
InChI=1S/C9H8INO2/c1-2-13-8-4-6(5-11)3-7(10)9(8)12/h3-4,12H,2H2,1H3
InChI Key:
IVSLDCBERYFMQU-UHFFFAOYSA-N
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.96g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.072g/mol
Monoisotopic Mass:
288.96g/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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