| CAS Number | 849210-10-2 |
| Catalog Number | AG00IDHB(AGN-PC-0H8Z3K) |
| Chemical Name | Benzene, 4-bromo-1-nitro-2-(phenylmethoxy)- |
| IUPAC Name | 4-bromo-1-nitro-2-phenylmethoxybenzene |
| 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 |
| MDL Number | MFCD28015519 |
| Molecular Formula | C13H10BrNO3 |
| Molecular Weight | 308.1274 |
| SMILES | Brc1ccc(c(c1)OCc1ccccc1)[N+](=O)[O-] |
| Synonyms | 2-(benzyloxy)-4-bromo-1-nitrobenzene,
849210-10-2,
SCHEMBL1583614,
ISIBNKKIJOEHIW-UHFFFAOYSA-N,
ZINC116587003,
Benzene, 4-bromo-1-nitro-2-(phenylmethoxy)-,
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| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.131g/mol |
| Monoisotopic Mass | 306.984g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
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