| CAS Number | 1245563-11-4 |
| Catalog Number | AG000M6M(AGN-PC-09PZH0) |
| Chemical Name | Benzene, 1-bromo-3-(cyclopropylmethoxy)-5-methyl- |
| IUPAC Name | 1-bromo-3-(cyclopropylmethoxy)-5-methylbenzene |
| InChI | InChI=1S/C11H13BrO/c1-8-4-10(12)6-11(5-8)13-7-9-2-3-9/h4-6,9H,2-3,7H2,1H3 |
| InChI Key | AEYSSTBYFPNCOL-UHFFFAOYSA-N |
| MDL Number | MFCD17015803 |
| Molecular Formula | C11H13BrO |
| Molecular Weight | 241.1243 |
| SMILES | Brc1cc(C)cc(c1)OCC1CC1 |
| Synonyms | 1-Bromo-3-(cyclopropylmethoxy)-5-methylbenzene,
1245563-11-4,
ACMC-209asd,
CTK4B3973,
DTXSID40682127,
ANW-18251,
MFCD17015803,
ZINC65337309,
AKOS015835370,
AJ-115085,
TR-035052,
Z8791,
B-2563,
Benzene, 1-bromo-3-(cyclopropylmethoxy)-5-methyl-,
I01-11037,
C11H13BrO,
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| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.128g/mol |
| Monoisotopic Mass | 240.015g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
Lot Number