| CAS Number | 928664-12-4 |
| Catalog Number | AG00IHD4(AGN-PC-0WCYC2) |
| Chemical Name | 1-(Bromomethyl)-3-methoxy-5-nitrobenzene |
| IUPAC Name | 1-(bromomethyl)-3-methoxy-5-nitrobenzene |
| InChI | InChI=1S/C8H8BrNO3/c1-13-8-3-6(5-9)2-7(4-8)10(11)12/h2-4H,5H2,1H3 |
| InChI Key | AXVLGWFXBNZIMX-UHFFFAOYSA-N |
| MDL Number | MFCD18398381 |
| Molecular Formula | C8H8BrNO3 |
| Molecular Weight | 246.0580 |
| SMILES | COC1=CC(CBr)=CC(=C1)[N+]([O-])=O |
| Synonyms | 1-(bromomethyl)-3-methoxy-5-nitrobenzene,
928664-12-4,
3-methoxy-5-nitrobenzyl bromide,
SCHEMBL1098058,
3-methoxy-5-nitro-benzyl bromide,
AXVLGWFXBNZIMX-UHFFFAOYSA-N,
MFCD18398381,
ZINC84193195,
AKOS017552638,
KS-00001B51,
AS-54902,
CS-0047007,
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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 |
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Certificate of Analysis
Lot Number