| CAS Number | 773134-56-8 |
| Catalog Number | AG00G70I(AGN-PC-06PFFD) |
| Chemical Name | ethyl 2-chloro-6-fluoro-benzoat |
| IUPAC Name | ethyl 2-chloro-6-fluorobenzoate |
| InChI | InChI=1S/C9H8ClFO2/c1-2-13-9(12)8-6(10)4-3-5-7(8)11/h3-5H,2H2,1H3 |
| InChI Key | GRVKHBFLUGAABX-UHFFFAOYSA-N |
| MDL Number | MFCD06204285 |
| Molecular Formula | C9H8ClFO2 |
| Molecular Weight | 202.6100 |
| SMILES | O=C(OCC)C1=C(F)C=CC=C1Cl |
| Synonyms | Ethyl 2-chloro-6-fluorobenzoate,
773134-56-8,
Ethyl 2-chloro-6-fluoro-benzoat,
2-CHLORO-6-FLUOROBENZOIC ACID ETHYL ESTER,
SCHEMBL1671664,
DTXSID10655969,
GRVKHBFLUGAABX-UHFFFAOYSA-N,
ZINC35101580,
AKOS008947977,
AS06909,
MB03694,
KS-000011A4,
AJ-90693,
FT-0763609,
TL80090275,
Benzoic acid, 2-chloro-6-fluoro-, ethyl ester,
ACN-050170,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.609g/mol |
| Monoisotopic Mass | 202.02g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^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-P301+P312-P302+P352-P304+P340-P305+P351+P338
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Signal Words
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warning
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UN Code
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Certificate of Analysis
Lot Number