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460746-47-8 | 4-(4-hydroxy-3-iodophenyl)benzonitrile
CAS No: 460746-47-8 Catalog No: AG00D947 MDL No:MFCD06796628
Product Description
Catalog Number:
AG00D947
Chemical Name:
4-(4-hydroxy-3-iodophenyl)benzonitrile
CAS Number:
460746-47-8
Molecular Formula:
C13H8INO
Molecular Weight:
321.1132
MDL Number:
MFCD06796628
IUPAC Name:
4-(4-hydroxy-3-iodophenyl)benzonitrile
InChI:
InChI=1S/C13H8INO/c14-12-7-11(5-6-13(12)16)10-3-1-9(8-15)2-4-10/h1-7,16H
InChI Key:
GGJLASJZXUIMAG-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1ccc(c(c1)I)O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.965g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.117g/mol
Monoisotopic Mass:
320.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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