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6277-17-4 | 2-Iodo-1-methyl-3-nitrobenzene
CAS No: 6277-17-4 Catalog No: AG003HGE MDL No:MFCD00091040
Product Description
Catalog Number:
AG003HGE
Chemical Name:
2-Iodo-1-methyl-3-nitrobenzene
CAS Number:
6277-17-4
Molecular Formula:
C7H6INO2
Molecular Weight:
263.0325
MDL Number:
MFCD00091040
IUPAC Name:
2-iodo-1-methyl-3-nitrobenzene
InChI:
InChI=1S/C7H6INO2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,1H3
InChI Key:
AKYPSJARSQSCHJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1I)C
NSC Number:
35343
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:
3.1
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