| CAS Number | 149557-17-5 |
| Catalog Number | AG00AWWA(AGN-PC-03IULY) |
| Chemical Name | 1-Bromo-3-propoxybenzene |
| IUPAC Name | 1-bromo-3-propoxybenzene |
| InChI | InChI=1S/C9H11BrO/c1-2-6-11-9-5-3-4-8(10)7-9/h3-5,7H,2,6H2,1H3 |
| InChI Key | NJOUUFXWXTUITI-UHFFFAOYSA-N |
| MDL Number | MFCD09944153 |
| Molecular Formula | C9H11BrO |
| Molecular Weight | 215.0870 |
| SMILES | CCCOC1=CC(Br)=CC=C1 |
| Synonyms | 1-bromo-3-propoxybenzene,
149557-17-5,
1-Bromo-3-n-propyloxybenzene,
3-propoxybromobenzene,
AC1Q2YDI,
3-Bromophenylpropyl ether,
Benzene, 1-bromo-3-propoxy-,
SCHEMBL1438757,
CTK6E6148,
NJOUUFXWXTUITI-UHFFFAOYSA-N,
ZINC19504232,
AKOS000185617,
FS-4430,
MCULE-8510543013,
Z0201,
EN300-52014,
Q-7693,
C9H11BrO,
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| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.09g/mol |
| Monoisotopic Mass | 213.999g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number