| CAS Number | 688363-79-3 |
| Catalog Number | AG00IBVI(AGN-PC-03H0E6) |
| Chemical Name | Benzene, 1-bromo-3-nitro-2-(phenylmethoxy)- |
| IUPAC Name | 1-bromo-3-nitro-2-phenylmethoxybenzene |
| InChI | InChI=1S/C13H10BrNO3/c14-11-7-4-8-12(15(16)17)13(11)18-9-10-5-2-1-3-6-10/h1-8H,9H2 |
| InChI Key | IJAMXMAVDDCHHD-UHFFFAOYSA-N |
| MDL Number | MFCD12198243 |
| Molecular Formula | C13H10BrNO3 |
| Molecular Weight | 308.1274 |
| SMILES | C(C1=CC=CC=C1)OC1=C(C=CC=C1[N+](=O)[O-])Br |
| Synonyms | 2-(benzyloxy)-1-bromo-3-nitrobenzene,
688363-79-3,
Benzene, 1-bromo-3-nitro-2-(phenylmethoxy)-,
BEN338,
SCHEMBL1180288,
CTK5I8597,
DTXSID30619184,
IJAMXMAVDDCHHD-UHFFFAOYSA-N,
ZINC36719647,
1-Bromo-2-(benzyloxy)-3-nitrobenzene,
AJ-93298,
FT-0712809,
J3.542.891G,
1-bromo-3-nitro-2-[(phenylmethyl)oxy]benzene,
AN-584/43417498,
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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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number