| CAS Number | 79944-65-3 |
| Catalog Number | AG0054FE(AGN-PC-0WBROO) |
| Chemical Name | 1-Chloro-3-(chloromethyl)-5-fluorobenzene |
| IUPAC Name | 1-chloro-3-(chloromethyl)-5-fluorobenzene |
| InChI | InChI=1S/C7H5Cl2F/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,4H2 |
| InChI Key | XKFGZKBYLFDLMS-UHFFFAOYSA-N |
| MDL Number | MFCD11110094 |
| Molecular Formula | C7H5Cl2F |
| Molecular Weight | 179.0190 |
| SMILES | FC1=CC(CCl)=CC(Cl)=C1 |
| Synonyms | 1-CHLORO-3-(CHLOROMETHYL)-5-FLUOROBENZENE,
79944-65-3,
ACMC-1BG6A,
SCHEMBL14750162,
CTK8B2332,
DTXSID30695160,
XKFGZKBYLFDLMS-UHFFFAOYSA-N,
ANW-37336,
KM2004,
ZINC85483134,
AKOS006309273,
AB63445,
1-chloro-3-fluoro-5-chloromethylbenzene,
3-CHLORO-5-FLUOROBENZYL CHLORIDE,
TC-126081,
1-Chloro-3-(chloromethyl)-5-fluoro-benzene,
V7812,
C7H5Cl2F,
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| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.015g/mol |
| Monoisotopic Mass | 177.975g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number