| CAS Number | 90434-16-5 |
| Catalog Number | AG00IG5A(AGN-PC-004M29) |
| Chemical Name | Benzene, 1-(bromomethyl)-2-methoxy-4-nitro- |
| IUPAC Name | 1-(bromomethyl)-2-methoxy-4-nitrobenzene |
| InChI | InChI=1S/C8H8BrNO3/c1-13-8-4-7(10(11)12)3-2-6(8)5-9/h2-4H,5H2,1H3 |
| InChI Key | AQTWRBIMELKBOF-UHFFFAOYSA-N |
| MDL Number | MFCD09264030 |
| Molecular Formula | C8H8BrNO3 |
| Molecular Weight | 246.0580 |
| SMILES | BrCC1=C(C=C(C=C1)[N+](=O)[O-])OC |
| Synonyms | 1-(BROMOMETHYL)-2-METHOXY-4-NITROBENZENE,
90434-16-5,
2-METHOXY-4-NITROBENZYL BROMIDE,
2-Bromomethyl-5-nitroanisole,
SCHEMBL4518437,
DTXSID50459140,
AQTWRBIMELKBOF-UHFFFAOYSA-N,
ZINC95755852,
AKOS030239251,
AB50449,
SC-53374,
Benzene, 1-(bromomethyl)-2-methoxy-4-nitro-,
CID11218814,
1-(bromomethyl)-2-methoxy-4-nitro-benzene,
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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