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859794-01-7 | 1-Chloro-5-iodo-2-methyl-4-nitrobenzene
CAS No: 859794-01-7 Catalog No: AG004QBC MDL No:MFCD15143546
Product Description
Catalog Number:
AG004QBC
Chemical Name:
1-Chloro-5-iodo-2-methyl-4-nitrobenzene
CAS Number:
859794-01-7
Molecular Formula:
C7H5ClINO2
Molecular Weight:
297.4776
MDL Number:
MFCD15143546
IUPAC Name:
1-chloro-5-iodo-2-methyl-4-nitrobenzene
InChI:
InChI=1S/C7H5ClINO2/c1-4-2-7(10(11)12)6(9)3-5(4)8/h2-3H,1H3
InChI Key:
GCXGZOXGUGMUGM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C)c(cc1I)Cl
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.905g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.476g/mol
Monoisotopic Mass:
296.905g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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