| CAS Number | 149104-97-2 |
| Catalog Number | AG001LDY(AGN-PC-02369U) |
| Chemical Name | 1-Bromo-4-(chloromethyl)-2-methylbenzene |
| IUPAC Name | 1-bromo-4-(chloromethyl)-2-methylbenzene |
| InChI | InChI=1S/C8H8BrCl/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,5H2,1H3 |
| InChI Key | GHIUFUSYLQYGNS-UHFFFAOYSA-N |
| MDL Number | MFCD11110175 |
| Molecular Formula | C8H8BrCl |
| Molecular Weight | 219.5061 |
| SMILES | CC1=C(Br)C=CC(CCl)=C1 |
| Synonyms | 1-Bromo-4-(chloromethyl)-2-methylbenzene,
149104-97-2,
Benzene, 1-bromo-4-(chloromethyl)-2-methyl-,
ACMC-209d1t,
SCHEMBL2496840,
4-Bromo-3-methylbenzyl chloride,
CTK8B0817,
DTXSID70596889,
GHIUFUSYLQYGNS-UHFFFAOYSA-N,
ANW-21183,
MFCD11110175,
ZINC57939652,
AKOS015150327,
AJ-113078,
TC-109928,
FT-0702243,
V3412,
K-4734,
C8H8BrCl,
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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 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number