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192869-09-3 | 2-iodo-3,4-dimethoxybenzonitrile
CAS No: 192869-09-3 Catalog No: AG01DJ2H MDL No:
Product Description
Catalog Number:
AG01DJ2H
Chemical Name:
2-iodo-3,4-dimethoxybenzonitrile
CAS Number:
192869-09-3
Molecular Formula:
C9H8INO2
Molecular Weight:
289.0698
IUPAC Name:
2-iodo-3,4-dimethoxybenzonitrile
InChI:
InChI=1S/C9H8INO2/c1-12-7-4-3-6(5-11)8(10)9(7)13-2/h3-4H,1-2H3
InChI Key:
JTVXKTKBFZQQPX-UHFFFAOYSA-N
SMILES:
COc1c(OC)ccc(c1I)C#N
EC Number:
606-286-9
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:
0
Isotope Atom Count:
0
Molecular Weight:
289.072g/mol
Monoisotopic Mass:
288.96g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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