| CAS Number | 55324-02-2 |
| Catalog Number | AG00DAGK(AGN-PC-00K57W) |
| Chemical Name | 1-BROMOMETHYL-3-METHYL-2-NITRO-BENZENE |
| IUPAC Name | 1-(bromomethyl)-3-methyl-2-nitrobenzene |
| InChI | InChI=1S/C8H8BrNO2/c1-6-3-2-4-7(5-9)8(6)10(11)12/h2-4H,5H2,1H3 |
| InChI Key | INHZMDFMSBKUEF-UHFFFAOYSA-N |
| MDL Number | MFCD08276004 |
| Molecular Formula | C8H8BrNO2 |
| Molecular Weight | 230.0586 |
| SMILES | BrCC1=C(C(=CC=C1)C)[N+](=O)[O-] |
| Synonyms | 55324-02-2,
3-METHYL-2-NITROBENZYL BROMIDE,
1-(BROMOMETHYL)-3-METHYL-2-NITROBENZENE,
1-BROMOMETHYL-3-METHYL-2-NITROBENZENE,
SCHEMBL66337,
3-methyl-2nitrobenzyl bromide,
2-Nitro-3-methylbenzyl bromide,
2-nitro-3-methyl benzyl bromide,
DTXSID90513295,
INHZMDFMSBKUEF-UHFFFAOYSA-N,
ZX-AT013226,
MFCD08276004,
ZINC39343018,
AKOS027373190,
FCH1386637,
OR16688,
PS-9857,
1-bromomethyl-3-methyl-2-nitro-benzene,
SC-40377,
K-9885,
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| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.061g/mol |
| Monoisotopic Mass | 228.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number