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4102-46-9 | 2-Iodo-1,3-diMethyl-4-nitrobenzene
CAS No: 4102-46-9 Catalog No: AG00D5ZM MDL No:MFCD02066252
Product Description
Catalog Number:
AG00D5ZM
Chemical Name:
2-Iodo-1,3-diMethyl-4-nitrobenzene
CAS Number:
4102-46-9
Molecular Formula:
C8H8INO2
Molecular Weight:
277.0591
MDL Number:
MFCD02066252
IUPAC Name:
2-iodo-1,3-dimethyl-4-nitrobenzene
InChI:
InChI=1S/C8H8INO2/c1-5-3-4-7(10(11)12)6(2)8(5)9/h3-4H,1-2H3
InChI Key:
WBYYSBBIRPABFU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1C)I)C
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.96g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.061g/mol
Monoisotopic Mass:
276.96g/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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