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898768-01-9 | 4-(2-IODOPHENYL)-4-OXOBUTYRONITRILE
CAS No: 898768-01-9 Catalog No: AG00GW9S MDL No:
Product Description
Catalog Number:
AG00GW9S
Chemical Name:
4-(2-IODOPHENYL)-4-OXOBUTYRONITRILE
CAS Number:
898768-01-9
IUPAC Name:
4-(2-iodophenyl)-4-oxobutanenitrile
InChI:
InChI=1S/C10H8INO/c11-9-5-2-1-4-8(9)10(13)6-3-7-12/h1-2,4-5H,3,6H2
InChI Key:
XAQANQOKYKASBM-UHFFFAOYSA-N
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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