| CAS Number | 958027-86-6 |
| Catalog Number | AG019XZ5 |
| Chemical Name | 1-chloro-2-(2-chloroethyl)-3-fluorobenzene |
| IUPAC Name | 1-chloro-2-(2-chloroethyl)-3-fluorobenzene |
| InChI | InChI=1S/C8H7Cl2F/c9-5-4-6-7(10)2-1-3-8(6)11/h1-3H,4-5H2 |
| InChI Key | DWOXLKKZXSXPSK-UHFFFAOYSA-N |
| MDL Number | MFCD11646257 |
| Molecular Formula | C8H7Cl2F |
| Molecular Weight | 193.0456 |
| SMILES | FC1=C(CCCl)C(Cl)=CC=C1 |
| Synonyms | 1-chloro-2-(2-chloroethyl)-3-fluorobenzene,
958027-86-6,
AC1Q4L4V,
SCHEMBL3115865,
CTK6H7504,
ZINC57217532,
AKOS009358888,
MCULE-3745137302,
NE55281,
SC-61336,
EN300-56448,
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| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.042g/mol |
| Monoisotopic Mass | 191.991g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number