| CAS Number | 338454-32-3 |
| Catalog Number | AG00I6OB(AGN-PC-0WP1TC) |
| Chemical Name | 1-(Benzyloxy)-4-bromo-2-methylbenzene |
| IUPAC Name | 4-bromo-2-methyl-1-phenylmethoxybenzene |
| InChI | InChI=1S/C14H13BrO/c1-11-9-13(15)7-8-14(11)16-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3 |
| InChI Key | HKODXCGHSJXSFD-UHFFFAOYSA-N |
| MDL Number | MFCD18361005 |
| Molecular Formula | C14H13BrO |
| Molecular Weight | 277.1564 |
| SMILES | C(C1=CC=CC=C1)OC1=C(C=C(C=C1)Br)C |
| Synonyms | 1-(BENZYLOXY)-4-BROMO-2-METHYLBENZENE,
338454-32-3,
1-benzyloxy-4-bromo-2-methylbenzene,
1-?Benzyloxy-?4-?bromo-?2-?methylbenzene,
2-benzyloxy-5-bromotoluene,
SCHEMBL3724105,
CTK5I6719,
HKODXCGHSJXSFD-UHFFFAOYSA-N,
MFCD18361005,
ZINC71373503,
AKOS012837786,
MCULE-7548245557,
DA-42738,
FT-0762029,
EN300-91355,
Z-2805,
Z1262398521,
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| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.161g/mol |
| Monoisotopic Mass | 276.015g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number