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42872-79-7 | 3-Iodo-4-methylbenzonitrile
CAS No: 42872-79-7 Catalog No: AG003JLD MDL No:MFCD06797817
Product Description
Catalog Number:
AG003JLD
Chemical Name:
3-Iodo-4-methylbenzonitrile
CAS Number:
42872-79-7
Molecular Formula:
C8H6IN
Molecular Weight:
243.0444
MDL Number:
MFCD06797817
IUPAC Name:
3-iodo-4-methylbenzonitrile
InChI:
InChI=1S/C8H6IN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3
InChI Key:
YGXPQBKQVKASBM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)I)C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.954g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.047g/mol
Monoisotopic Mass:
242.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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