| CAS Number | 67567-46-8 |
| Catalog Number | AG005MJD(AGN-PC-0OG7J6) |
| Chemical Name | 2-(Bromomethyl)-4-methoxy-1-nitrobenzene |
| IUPAC Name | 2-(bromomethyl)-4-methoxy-1-nitrobenzene |
| InChI | InChI=1S/C8H8BrNO3/c1-13-7-2-3-8(10(11)12)6(4-7)5-9/h2-4H,5H2,1H3 |
| InChI Key | BXVAGOCCUQNTFR-UHFFFAOYSA-N |
| MDL Number | MFCD08234906 |
| Molecular Formula | C8H8BrNO3 |
| Molecular Weight | 246.0580 |
| SMILES | O=[N+](C1=CC=C(OC)C=C1CBr)[O-] |
| Synonyms | 2-(BROMOMETHYL)-4-METHOXY-1-NITROBENZENE,
67567-46-8,
1-(bromomethyl)-5-methoxy-2-nitrobenzene,
4-Nitro-3-bromomethylanisole,
2-Nitro-5-methoxybenzylbromid,
SCHEMBL5050095,
CTK5C6345,
DTXSID60497558,
BXVAGOCCUQNTFR-UHFFFAOYSA-N,
ZINC71654903,
AKOS030230123,
AB43682,
NE47918,
5-METHOXY-2-NITROBENZYL BROMIDE,
2-Bromomethyl-4-methoxy-1-nitro-benzene,
2- -4-METHOXY-1-NITROBENZENE,
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| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.06g/mol |
| Monoisotopic Mass | 244.969g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number