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39763-72-9 | 1-iodo-4,5-dimethyl-2-nitrobenzene
CAS No: 39763-72-9 Catalog No: AG01B9OD MDL No:MFCD12547849
Product Description
Catalog Number:
AG01B9OD
Chemical Name:
1-iodo-4,5-dimethyl-2-nitrobenzene
CAS Number:
39763-72-9
Molecular Formula:
C8H8INO2
Molecular Weight:
277.0591
MDL Number:
MFCD12547849
IUPAC Name:
1-iodo-4,5-dimethyl-2-nitrobenzene
InChI:
InChI=1S/C8H8INO2/c1-5-3-7(9)8(10(11)12)4-6(5)2/h3-4H,1-2H3
InChI Key:
OEMBENQUVUSNGM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C)c(cc1I)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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