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69113-59-3 | 3-Iodobenzonitrile
CAS No: 69113-59-3 Catalog No: AG003JLM MDL No:MFCD00079762
Product Description
Catalog Number:
AG003JLM
Chemical Name:
3-Iodobenzonitrile
CAS Number:
69113-59-3
Molecular Formula:
C7H4IN
Molecular Weight:
229.0178
MDL Number:
MFCD00079762
IUPAC Name:
3-iodobenzonitrile
InChI:
InChI=1S/C7H4IN/c8-7-3-1-2-6(4-7)5-9/h1-4H
InChI Key:
BGARPMGQRREXLN-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)I
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.939g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.02g/mol
Monoisotopic Mass:
228.939g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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