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1203898-26-3 | 5-iodo-6-isopropyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
CAS No: 1203898-26-3 Catalog No: AG00HFGB MDL No:MFCD14581669
Product Description
Catalog Number:
AG00HFGB
Chemical Name:
5-iodo-6-isopropyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
CAS Number:
1203898-26-3
Molecular Formula:
C9H9IN2O
Molecular Weight:
288.0850
MDL Number:
MFCD14581669
IUPAC Name:
5-iodo-2-oxo-6-propan-2-yl-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C9H9IN2O/c1-5(2)8-7(10)3-6(4-11)9(13)12-8/h3,5H,1-2H3,(H,12,13)
InChI Key:
KHTTYKNCKUPZPW-UHFFFAOYSA-N
SMILES:
N#Cc1cc(I)c([nH]c1=O)C(C)C
Properties
Complexity:
357
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.088g/mol
Monoisotopic Mass:
287.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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