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Home > Nitro Compounds > 6973-40-6
6973-40-6 | 1,3,5-trinitro-2-phenoxybenzene
CAS No: 6973-40-6 Catalog No: AG005IDG MDL No:
Product Description
Catalog Number:
AG005IDG
Chemical Name:
1,3,5-trinitro-2-phenoxybenzene
CAS Number:
6973-40-6
Molecular Formula:
C12H7N3O7
Molecular Weight:
305.1999
IUPAC Name:
1,3,5-trinitro-2-phenoxybenzene
InChI:
InChI=1S/C12H7N3O7/c16-13(17)8-6-10(14(18)19)12(11(7-8)15(20)21)22-9-4-2-1-3-5-9/h1-7H
InChI Key:
KDVCTAHYZJQAOH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1Oc1ccccc1)[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
40572
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.028g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.202g/mol
Monoisotopic Mass:
305.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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