| CAS Number | 279262-34-9 |
| Catalog Number | AG00BIBC |
| Chemical Name | 1-Bromo-4-(3-Methoxypropoxy)Benzene |
| IUPAC Name | 1-bromo-4-(3-methoxypropoxy)benzene |
| InChI | InChI=1S/C10H13BrO2/c1-12-7-2-8-13-10-5-3-9(11)4-6-10/h3-6H,2,7-8H2,1H3 |
| InChI Key | IBTRRSNXSNWLRO-UHFFFAOYSA-N |
| MDL Number | MFCD12798835 |
| Molecular Formula | C10H13BrO2 |
| Molecular Weight | 245.1130 |
| SMILES | O(CCCOC)c1ccc(cc1)Br |
| Synonyms | 1-Bromo-4-(3-methoxypropoxy)benzene,
279262-34-9,
ACMC-209gzy,
SCHEMBL4598588,
CTK8B1363,
DTXSID80621333,
IBTRRSNXSNWLRO-UHFFFAOYSA-N,
ANW-26300,
MFCD12798835,
ZINC37506376,
1-Bromo-4-(3-methoxypropoxyl)benzene,
AKOS009824614,
AM86847,
AS-40314,
TC-115045,
V4881,
K-7020,
C10H13BrO2,
30752-18-2,
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| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.116g/mol |
| Monoisotopic Mass | 244.01g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number