| CAS Number | 74003-34-2 |
| Catalog Number | AG0036IQ(AGN-PC-00JV1M) |
| Chemical Name | 1-bromo-4-(3-chloropropyl)benzene |
| IUPAC Name | 1-bromo-4-(3-chloropropyl)benzene |
| InChI | InChI=1S/C9H10BrCl/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2,7H2 |
| InChI Key | PAFIAUVYPOZBJR-UHFFFAOYSA-N |
| MDL Number | MFCD09744311 |
| Molecular Formula | C9H10BrCl |
| Molecular Weight | 233.5327 |
| SMILES | BrC1=CC=C(C=C1)CCCCl |
| Synonyms | 1-BROMO-4-(3-CHLOROPROPYL)BENZENE,
74003-34-2,
Benzene, 1-bromo-4-(3-chloropropyl)-,
3-(p-bromophenyl)propylchloride,
SCHEMBL7961204,
CTK2H0716,
DTXSID10512003,
ZINC49651080,
AKOS011897336,
MCULE-8815406901,
RP05635,
NS-03094,
Y9960,
J-504433,
C9H10BrCl,
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| Complexity | 97.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.533g/mol |
| Monoisotopic Mass | 231.965g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number