| CAS Number | 19829-32-4 |
| Catalog Number | AG002BF4(AGN-PC-00O49Q) |
| Chemical Name | Benzene, 1-bromo-3-propyl- |
| IUPAC Name | 1-bromo-3-propylbenzene |
| InChI | InChI=1S/C9H11Br/c1-2-4-8-5-3-6-9(10)7-8/h3,5-7H,2,4H2,1H3 |
| InChI Key | CXRVLYOHAQORCT-UHFFFAOYSA-N |
| MDL Number | MFCD26622191 |
| Molecular Formula | C9H11Br |
| Molecular Weight | 199.0876 |
| SMILES | BrC1=CC(=CC=C1)CCC |
| Synonyms | 1-BROMO-3-PROPYLBENZENE,
19829-32-4,
Benzene, 1-bromo-3-propyl-,
SCHEMBL1513555,
CTK0E0611,
DTXSID00550499,
CXRVLYOHAQORCT-UHFFFAOYSA-N,
MFCD26622191,
ZINC81127870,
AKOS023365010,
MCULE-6026617118,
NE51337,
CS-0060101,
FT-0725119,
Z1718804676,
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| Complexity | 90.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.091g/mol |
| Monoisotopic Mass | 198.004g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number