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58123-75-4 | 4-Cyano-3-iodobenzoic acid
CAS No: 58123-75-4 Catalog No: AG00IACH MDL No:
Product Description
Catalog Number:
AG00IACH
Chemical Name:
4-Cyano-3-iodobenzoic acid
CAS Number:
58123-75-4
IUPAC Name:
4-cyano-3-iodobenzoic acid
InChI:
InChI=1S/C8H4INO2/c9-7-3-5(8(11)12)1-2-6(7)4-10/h1-3H,(H,11,12)
InChI Key:
MAPYTADMDDOORV-UHFFFAOYSA-N
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.929g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.029g/mol
Monoisotopic Mass:
272.929g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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