2-(Benzyloxy)-4-bromo-1-nitrobenzene - CAS 849210-10-2
Catalog: |
BB073445 |
Product Name: |
2-(Benzyloxy)-4-bromo-1-nitrobenzene |
CAS: |
849210-10-2 |
Synonyms: |
2-(benzyloxy)-4-bromo-1-nitrobenzene; 4-bromo-1-nitro-2-phenylmethoxybenzene; Benzene, 4-bromo-1-nitro-2-(phenylmethoxy)- |
IUPAC Name: | 4-bromo-1-nitro-2-phenylmethoxybenzene |
Description: | 2-(Benzyloxy)-4-bromo-1-nitrobenzene |
Molecular Weight: | 308.13 |
Molecular Formula: | C13H10BrNO3 |
Canonical SMILES: | C1=CC=C(C=C1)COC2=C(C=CC(=C2)Br)[N+](=O)[O-] |
InChI: | InChI=1S/C13H10BrNO3/c14-11-6-7-12(15(16)17)13(8-11)18-9-10-4-2-1-3-5-10/h1-8H,9H2 |
InChI Key: | ISIBNKKIJOEHIW-UHFFFAOYSA-N |
Complexity: | 276 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 306.98441 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 306.98441 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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