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13658-56-5 | Naphthalene, 1-bromo-8-nitro-
CAS No: 13658-56-5 Catalog No: AG001244 MDL No:
Product Description
Catalog Number:
AG001244
Chemical Name:
Naphthalene, 1-bromo-8-nitro-
CAS Number:
13658-56-5
Molecular Formula:
C10H6BrNO2
Molecular Weight:
252.0641
IUPAC Name:
1-bromo-8-nitronaphthalene
InChI:
InChI=1S/C10H6BrNO2/c11-8-5-1-3-7-4-2-6-9(10(7)8)12(13)14/h1-6H
InChI Key:
FQFDMDPWMTVNKL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1c(Br)ccc2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.958g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.067g/mol
Monoisotopic Mass:
250.958g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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