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1-(Chloromethyl)-3-fluoro-5-nitrobenzene - 95%, high purity , CAS No.1214344-25-8
Basic Description
Synonyms | AB66784 | 3-fluoro-5-nitrobenzyl chloride | 1-(chloromethyl)-3-fluoro-5-nitrobenzene | 1214344-25-8 | RYCSPDIZWBMOTJ-UHFFFAOYSA-N | SCHEMBL13722667 | CL8719 | DS-17969 | Benzene, 1-(chloromethyl)-3-fluoro-5-nitro- | AMY39472 | AKOS014098894 | MFCD13185626 |
Specifications & Purity | ≥95% |
Storage Temp | Store at 2-8°C,Desiccated |
Shipped In | Wet ice |
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Names and Identifiers
IUPAC Name | 1-(chloromethyl)-3-fluoro-5-nitrobenzene |
INCHI | InChI=1S/C7H5ClFNO2/c8-4-5-1-6(9)3-7(2-5)10(11)12/h1-3H,4H2 |
InChi Key | RYCSPDIZWBMOTJ-UHFFFAOYSA-N |
Canonical SMILES | C1=C(C=C(C=C1[N+](=O)[O-])F)CCl |
Isomeric SMILES | C1=C(C=C(C=C1[N+](=O)[O-])F)CCl |
PubChem CID | 56924386 |
Molecular Weight | 189.57 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight | 189.570 g/mol |
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XLogP3 | 2.200 |
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Hydrogen Bond Donor Count | 0 |
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Hydrogen Bond Acceptor Count | 3 |
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Rotatable Bond Count | 1 |
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Exact Mass | 188.999 Da |
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Monoisotopic Mass | 188.999 Da |
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Topological Polar Surface Area | 45.800 Ų |
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Heavy Atom Count | 12 |
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Formal Charge | 0 |
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Complexity | 173.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 1 |
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