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41252-97-5 | 4-Iodo-2-nitrotoluene
CAS No: 41252-97-5 Catalog No: AG003LKB MDL No:MFCD00051090
Product Description
Catalog Number:
AG003LKB
Chemical Name:
4-Iodo-2-nitrotoluene
CAS Number:
41252-97-5
Molecular Formula:
C7H6INO2
Molecular Weight:
263.0325
MDL Number:
MFCD00051090
IUPAC Name:
4-iodo-1-methyl-2-nitrobenzene
InChI:
InChI=1S/C7H6INO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3
InChI Key:
QLMRDNPXYNJQMQ-UHFFFAOYSA-N
SMILES:
Ic1ccc(c(c1)[N+](=O)[O-])C
EC Number:
255-279-3
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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