| CAS Number | 61172-29-0 |
| Catalog Number | AG00EFZ5(AGN-PC-0NGIV6) |
| Chemical Name | 1-(Bromomethyl)-2-methylnaphthalene |
| IUPAC Name | 1-(bromomethyl)-2-methylnaphthalene |
| InChI | InChI=1S/C12H11Br/c1-9-6-7-10-4-2-3-5-11(10)12(9)8-13/h2-7H,8H2,1H3 |
| InChI Key | KHIPWBHOPWKEDV-UHFFFAOYSA-N |
| MDL Number | MFCD12025086 |
| Molecular Formula | C12H11Br |
| Molecular Weight | 235.1197 |
| SMILES | BrCc1c(C)ccc2c1cccc2 |
| Synonyms | 1-(bromomethyl)-2-methylnaphthalene,
61172-29-0,
Naphthalene, 1-(bromomethyl)-2-methyl-,
1-Bromomethyl-2-methylnaphthalene,
SCHEMBL1230326,
CTK2E5722,
DTXSID40456663,
ZINC89065592,
AKOS017565208,
FT-0743192,
F1911-3806,
1-(bromomethyl)-2-methyl-naphthalene,
CID11139076,
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| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.124g/mol |
| Monoisotopic Mass | 234.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number