| CAS Number | 117890-58-1 |
| Catalog Number | AG01AMTI(AGN-PC-09ROWA) |
| Chemical Name | 4-(Bromomethyl)-1-chloro-2-methylbenzene |
| IUPAC Name | 4-(bromomethyl)-1-chloro-2-methylbenzene |
| InChI | InChI=1S/C8H8BrCl/c1-6-4-7(5-9)2-3-8(6)10/h2-4H,5H2,1H3 |
| InChI Key | REUUQOIBNWISSI-UHFFFAOYSA-N |
| MDL Number | MFCD11846566 |
| Molecular Formula | C8H8BrCl |
| Molecular Weight | 219.5061 |
| SMILES | CC1=CC(CBr)=CC=C1Cl |
| Synonyms | 117890-58-1,
4-(BROMOMETHYL)-1-CHLORO-2-METHYLBENZENE,
Benzene, 4-(bromomethyl)-1-chloro-2-methyl-,
SCHEMBL583557,
ZINC88190273,
AKOS023762108,
DA-14997,
SC-52906,
FT-0713255,
4-(BROMOMETHYL)-1-CHLORO-2-METHYL-BENZENE,
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| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.95g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.506g/mol |
| Monoisotopic Mass | 217.95g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number