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Home > Nitro Compounds > 74534-05-7
74534-05-7 | Benzene, 2-(3-methylphenoxy)-1,3,5-trinitro-
CAS No: 74534-05-7 Catalog No: AG005ARA MDL No:
Product Description
Catalog Number:
AG005ARA
Chemical Name:
Benzene, 2-(3-methylphenoxy)-1,3,5-trinitro-
CAS Number:
74534-05-7
Molecular Formula:
C13H9N3O7
Molecular Weight:
319.2265
IUPAC Name:
2-(3-methylphenoxy)-1,3,5-trinitrobenzene
InChI:
InChI=1S/C13H9N3O7/c1-8-3-2-4-10(5-8)23-13-11(15(19)20)6-9(14(17)18)7-12(13)16(21)22/h2-7H,1H3
InChI Key:
SOOCRHXNGMCZSZ-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.044g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.229g/mol
Monoisotopic Mass:
319.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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