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898767-92-5 | 4-(3-IODOPHENYL)-4-OXOBUTANENITRILE
CAS No: 898767-92-5 Catalog No: AG006MPR MDL No:
Product Description
Catalog Number:
AG006MPR
Chemical Name:
4-(3-IODOPHENYL)-4-OXOBUTANENITRILE
CAS Number:
898767-92-5
Molecular Formula:
C10H8INO
Molecular Weight:
285.0811
IUPAC Name:
4-(3-iodophenyl)-4-oxobutanenitrile
InChI:
InChI=1S/C10H8INO/c11-9-4-1-3-8(7-9)10(13)5-2-6-12/h1,3-4,7H,2,5H2
InChI Key:
CKSDLTRSGREVTG-UHFFFAOYSA-N
SMILES:
N#CCCC(=O)c1cccc(c1)I
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.965g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.084g/mol
Monoisotopic Mass:
284.965g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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