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83054-02-8 | Naphthalene, 1,6-dibromo-2-(2-chloro-4-nitrophenoxy)-
CAS No: 83054-02-8 Catalog No: AG005C8H MDL No:
Product Description
Catalog Number:
AG005C8H
Chemical Name:
Naphthalene, 1,6-dibromo-2-(2-chloro-4-nitrophenoxy)-
CAS Number:
83054-02-8
Molecular Formula:
C16H8Br2ClNO3
Molecular Weight:
457.5006
IUPAC Name:
1,6-dibromo-2-(2-chloro-4-nitrophenoxy)naphthalene
InChI:
InChI=1S/C16H8Br2ClNO3/c17-10-2-4-12-9(7-10)1-5-15(16(12)18)23-14-6-3-11(20(21)22)8-13(14)19/h1-8H
InChI Key:
CAKUTMRWSRMBOD-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)ccc(c2Br)Oc1ccc(cc1Cl)[N+](=O)[O-]
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.854g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
457.502g/mol
Monoisotopic Mass:
454.856g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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