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125652-17-7 | Dibenzofuran, 1,3,8-trichloro-6-nitro-
CAS No: 125652-17-7 Catalog No: AG000OA0 MDL No:
Product Description
Catalog Number:
AG000OA0
Chemical Name:
Dibenzofuran, 1,3,8-trichloro-6-nitro-
CAS Number:
125652-17-7
Molecular Formula:
C12H4Cl3NO3
Molecular Weight:
316.5241
IUPAC Name:
1,3,8-trichloro-6-nitrodibenzofuran
InChI:
InChI=1S/C12H4Cl3NO3/c13-5-1-7-11-8(15)2-6(14)4-10(11)19-12(7)9(3-5)16(17)18/h1-4H
InChI Key:
FDHMWCYHLUFGNL-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c2c(c1)oc1c2cc(cc1[N+](=O)[O-])Cl
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.926g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.518g/mol
Monoisotopic Mass:
314.926g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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