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2961-61-7 | Benzonitrile, 4-hydroxy-3,5-diiodo-, lithium salt (1:1)
CAS No: 2961-61-7 Catalog No: AG002YW6 MDL No:
Product Description
Catalog Number:
AG002YW6
Chemical Name:
Benzonitrile, 4-hydroxy-3,5-diiodo-, lithium salt (1:1)
CAS Number:
2961-61-7
Molecular Formula:
C7H3I2LiNO
Molecular Weight:
377.8548
IUPAC Name:
lithium;4-cyano-2,6-diiodophenolate
InChI:
InChI=1S/C7H3I2NO.Li/c8-5-1-4(3-10)2-6(9)7(5)11;/h1-2,11H;/q;+1/p-1
InChI Key:
WMMYHMKUTCMAIJ-UHFFFAOYSA-M
SMILES:
N#Cc1cc(I)c(c(c1)I)O.[Li]
UNII:
E58WQC6Q6R
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.839g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.848g/mol
Monoisotopic Mass:
376.839g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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