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87902-04-3 | Benzene, 1-(2-iodoethyl)-2,4-dinitro-
CAS No: 87902-04-3 Catalog No: AG004IIV MDL No:
Product Description
Catalog Number:
AG004IIV
Chemical Name:
Benzene, 1-(2-iodoethyl)-2,4-dinitro-
CAS Number:
87902-04-3
Molecular Formula:
C8H7IN2O4
Molecular Weight:
322.0566
IUPAC Name:
1-(2-iodoethyl)-2,4-dinitrobenzene
InChI:
InChI=1S/C8H7IN2O4/c9-4-3-6-1-2-7(10(12)13)5-8(6)11(14)15/h1-2,5H,3-4H2
InChI Key:
ZEZLXCUWRLHWMI-UHFFFAOYSA-N
SMILES:
ICCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.945g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.058g/mol
Monoisotopic Mass:
321.945g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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