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88644-60-4 | Benzene, 1-(iodomethyl)-2-isocyano-
CAS No: 88644-60-4 Catalog No: AG0049DY MDL No:
Product Description
Catalog Number:
AG0049DY
Chemical Name:
Benzene, 1-(iodomethyl)-2-isocyano-
CAS Number:
88644-60-4
Molecular Formula:
C8H6IN
Molecular Weight:
243.0444
IUPAC Name:
1-(iodomethyl)-2-isocyanobenzene
InChI:
InChI=1S/C8H6IN/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,6H2
InChI Key:
ZZMJWHWKZWKOLL-UHFFFAOYSA-N
SMILES:
[C-]#[N+]c1ccccc1CI
Properties
Complexity:
147
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:
1
Topological Polar Surface Area:
4.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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