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858120-02-2 | 5-iodo-2-methoxy-4,6-dimethylpyridine-3-carbonitrile
CAS No: 858120-02-2 Catalog No: AG00ITO0 MDL No:MFCD20526328
Product Description
Catalog Number:
AG00ITO0
Chemical Name:
5-iodo-2-methoxy-4,6-dimethylpyridine-3-carbonitrile
CAS Number:
858120-02-2
Molecular Formula:
C9H9IN2O
Molecular Weight:
288.0850
MDL Number:
MFCD20526328
IUPAC Name:
5-iodo-2-methoxy-4,6-dimethylpyridine-3-carbonitrile
InChI:
InChI=1S/C9H9IN2O/c1-5-7(4-11)9(13-3)12-6(2)8(5)10/h1-3H3
InChI Key:
KQQZSIHWXLUEMQ-UHFFFAOYSA-N
SMILES:
COc1nc(C)c(c(c1C#N)C)I
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.976g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.088g/mol
Monoisotopic Mass:
287.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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