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1258440-83-3 | Benzonitrile, 5-iodo-2-(1-methylethoxy)-
CAS No: 1258440-83-3 Catalog No: AG000OTD MDL No:
Product Description
Catalog Number:
AG000OTD
Chemical Name:
Benzonitrile, 5-iodo-2-(1-methylethoxy)-
CAS Number:
1258440-83-3
Molecular Formula:
C10H10INO
Molecular Weight:
287.0970
IUPAC Name:
5-iodo-2-propan-2-yloxybenzonitrile
InChI:
InChI=1S/C10H10INO/c1-7(2)13-10-4-3-9(11)5-8(10)6-12/h3-5,7H,1-2H3
InChI Key:
DWNKGDSMGFGXPG-UHFFFAOYSA-N
SMILES:
N#Cc1cc(I)ccc1OC(C)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.981g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.1g/mol
Monoisotopic Mass:
286.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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