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113965-60-9 | Benzene, 1,3-dibromo-5-methyl-2-(4-nitrophenoxy)-
CAS No: 113965-60-9 Catalog No: AG000A6P MDL No:
Product Description
Catalog Number:
AG000A6P
Chemical Name:
Benzene, 1,3-dibromo-5-methyl-2-(4-nitrophenoxy)-
CAS Number:
113965-60-9
Molecular Formula:
C13H9Br2NO3
Molecular Weight:
387.0235
IUPAC Name:
1,3-dibromo-5-methyl-2-(4-nitrophenoxy)benzene
InChI:
InChI=1S/C13H9Br2NO3/c1-8-6-11(14)13(12(15)7-8)19-10-4-2-9(3-5-10)16(17)18/h2-7H,1H3
InChI Key:
PMJXQYFEDLBHLT-UHFFFAOYSA-N
SMILES:
Brc1cc(C)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Br
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.893g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.027g/mol
Monoisotopic Mass:
384.895g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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