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52488-29-6 | 2-Iodo-4-methyl-1-nitrobenzene
CAS No: 52488-29-6 Catalog No: AG003HGJ MDL No:MFCD01320681
Product Description
Catalog Number:
AG003HGJ
Chemical Name:
2-Iodo-4-methyl-1-nitrobenzene
CAS Number:
52488-29-6
Molecular Formula:
C7H6INO2
Molecular Weight:
263.0325
MDL Number:
MFCD01320681
IUPAC Name:
2-iodo-4-methyl-1-nitrobenzene
InChI:
InChI=1S/C7H6INO2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3
InChI Key:
DJDSQNLIZRLTHJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)I)[N+](=O)[O-]
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.944g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.034g/mol
Monoisotopic Mass:
262.944g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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