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122779-54-8 | Naphthalene, 2-bromo-6-(2,4-dinitrophenoxy)-
CAS No: 122779-54-8 Catalog No: AG000JGS MDL No:
Product Description
Catalog Number:
AG000JGS
Chemical Name:
Naphthalene, 2-bromo-6-(2,4-dinitrophenoxy)-
CAS Number:
122779-54-8
Molecular Formula:
C16H9BrN2O5
Molecular Weight:
389.1571
IUPAC Name:
2-bromo-6-(2,4-dinitrophenoxy)naphthalene
InChI:
InChI=1S/C16H9BrN2O5/c17-12-3-1-11-8-14(5-2-10(11)7-12)24-16-6-4-13(18(20)21)9-15(16)19(22)23/h1-9H
InChI Key:
JFKZROZPXALSRQ-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)ccc(c2)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.969g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.161g/mol
Monoisotopic Mass:
387.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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