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861378-25-8 | Benzene, 1-iodo-3-methyl-2,4-dinitro-
CAS No: 861378-25-8 Catalog No: AG004TWH MDL No:
Product Description
Catalog Number:
AG004TWH
Chemical Name:
Benzene, 1-iodo-3-methyl-2,4-dinitro-
CAS Number:
861378-25-8
Molecular Formula:
C7H5IN2O4
Molecular Weight:
308.0301
IUPAC Name:
1-iodo-3-methyl-2,4-dinitrobenzene
InChI:
InChI=1S/C7H5IN2O4/c1-4-6(9(11)12)3-2-5(8)7(4)10(13)14/h2-3H,1H3
InChI Key:
NWPGYTLLYVTXET-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1C)[N+](=O)[O-])I
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.929g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.031g/mol
Monoisotopic Mass:
307.929g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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