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16054-48-1 | Diazene, 1-(4-bromophenyl)-2-phenyl-, 2-oxide
CAS No: 16054-48-1 Catalog No: AG001S10 MDL No:
Product Description
Catalog Number:
AG001S10
Chemical Name:
Diazene, 1-(4-bromophenyl)-2-phenyl-, 2-oxide
CAS Number:
16054-48-1
Molecular Formula:
C12H9BrN2O
Molecular Weight:
277.1167
IUPAC Name:
(4-bromophenyl)-oxido-phenyliminoazanium
InChI:
InChI=1S/C12H9BrN2O/c13-10-6-8-12(9-7-10)15(16)14-11-4-2-1-3-5-11/h1-9H
InChI Key:
TXRNMBBPWZIVMF-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)N=[N+](c1ccccc1)[O-]
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.99g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.121g/mol
Monoisotopic Mass:
275.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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