| CAS Number | 1352457-29-4 |
| Catalog Number | AG003AB7(AGN-PC-0HQUIC) |
| Chemical Name | 3-Chloro-4-fluoro-6-nitrotoluene |
| IUPAC Name | 1-chloro-2-fluoro-5-methyl-4-nitrobenzene |
| InChI | InChI=1S/C7H5ClFNO2/c1-4-2-5(8)6(9)3-7(4)10(11)12/h2-3H,1H3 |
| InChI Key | ANZSIRXHCVBVBY-UHFFFAOYSA-N |
| MDL Number | MFCD21603714 |
| Molecular Formula | C7H5ClFNO2 |
| Molecular Weight | 189.5715 |
| SMILES | ClC=1C=C(C(=CC1F)[N+](=O)[O-])C |
| Synonyms | 1-Chloro-2-fluoro-5-methyl-4-nitrobenzene,
1352457-29-4,
3-CHLORO-4-FLUORO-6-NITRO-TOLUENE,
3-Chloro-4-fluoro-6-nitrotoluene,
SCHEMBL10306693,
MFCD21603714,
ZINC91302279,
AM62225,
AS-30489,
AJ-130374,
FT-0734077,
ST24037925,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.57g/mol |
| Monoisotopic Mass | 188.999g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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