1-Bromo-2-(4-nitrophenoxy)benzene - CAS 86607-76-3
Catalog: |
BB071315 |
Product Name: |
1-Bromo-2-(4-nitrophenoxy)benzene |
CAS: |
86607-76-3 |
Synonyms: |
1-bromo-2-(4-nitrophenoxy)benzene; Benzene, 1-bromo-2-(4-nitrophenoxy)- |
IUPAC Name: | 1-bromo-2-(4-nitrophenoxy)benzene |
Description: | 1-Bromo-2-(4-nitrophenoxy)benzene |
Molecular Weight: | 294.1 |
Molecular Formula: | C12H8BrNO3 |
Canonical SMILES: | C1=CC=C(C(=C1)OC2=CC=C(C=C2)[N+](=O)[O-])Br |
InChI: | InChI=1S/C12H8BrNO3/c13-11-3-1-2-4-12(11)17-10-7-5-9(6-8-10)14(15)16/h1-8H |
InChI Key: | CPZPDDSHJZQKSD-UHFFFAOYSA-N |
Complexity: | 261 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 292.96876 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 292.96876 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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