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4102-38-9 | 2,4-DIMETHYL-1-IODO-5-NITROBENZENE
CAS No: 4102-38-9 Catalog No: AG00CN4H MDL No:MFCD08445668
Product Description
Catalog Number:
AG00CN4H
Chemical Name:
2,4-DIMETHYL-1-IODO-5-NITROBENZENE
CAS Number:
4102-38-9
Molecular Formula:
C8H8INO2
Molecular Weight:
277.0591
MDL Number:
MFCD08445668
IUPAC Name:
1-iodo-2,4-dimethyl-5-nitrobenzene
InChI:
InChI=1S/C8H8INO2/c1-5-3-6(2)8(10(11)12)4-7(5)9/h3-4H,1-2H3
InChI Key:
NDZIFBPJALJOPR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(I)c(cc1C)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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