| CAS Number | 178369-93-2 |
| Catalog Number | AG0025YS(AGN-PC-02GRD6) |
| Chemical Name | 1-(3-Bromopropyl)-4-(trifluoromethyl)benzene |
| IUPAC Name | 1-(3-bromopropyl)-4-(trifluoromethyl)benzene |
| InChI | InChI=1S/C10H10BrF3/c11-7-1-2-8-3-5-9(6-4-8)10(12,13)14/h3-6H,1-2,7H2 |
| InChI Key | JWKFKVXKBMORNI-UHFFFAOYSA-N |
| MDL Number | MFCD09744406 |
| Molecular Formula | C10H10BrF3 |
| Molecular Weight | 267.0856 |
| SMILES | FC(C1=CC=C(CCCBr)C=C1)(F)F |
| Synonyms | 1-(3-BROMOPROPYL)-4-(TRIFLUOROMETHYL)BENZENE,
178369-93-2,
Benzene, 1-(3-bromopropyl)-4-(trifluoromethyl)-,
SCHEMBL79100,
JWKFKVXKBMORNI-UHFFFAOYSA-N,
ZINC60712671,
AKOS011897555,
NE38323,
1-(3-bromopropyl)-4-trifluoromethylbenzene,
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| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.089g/mol |
| Monoisotopic Mass | 265.992g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number