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5326-38-5 | 1-Iodo-2-methyl-4-nitrobenzene
CAS No: 5326-38-5 Catalog No: AG003HGN MDL No:MFCD00051517
Product Description
Catalog Number:
AG003HGN
Chemical Name:
1-Iodo-2-methyl-4-nitrobenzene
CAS Number:
5326-38-5
Molecular Formula:
C7H6INO2
Molecular Weight:
263.0325
MDL Number:
MFCD00051517
IUPAC Name:
1-iodo-2-methyl-4-nitrobenzene
InChI:
InChI=1S/C7H6INO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3
InChI Key:
ARJHCXYRCLMLQN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)C)I
EC Number:
226-204-1
NSC Number:
293
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:
3.2
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