| CAS Number | 1124214-25-0 |
| Catalog Number | AG0033W2(AGN-PC-0CQW55) |
| Chemical Name | 4-Amino-2-chloro-3-fluorobenzoic acid |
| IUPAC Name | 4-amino-2-chloro-3-fluorobenzoic acid |
| InChI | InChI=1S/C7H5ClFNO2/c8-5-3(7(11)12)1-2-4(10)6(5)9/h1-2H,10H2,(H,11,12) |
| InChI Key | NHDBDTBRXKRBQV-UHFFFAOYSA-N |
| MDL Number | MFCD20646129 |
| Molecular Formula | C7H5ClFNO2 |
| Molecular Weight | 189.5715 |
| SMILES | NC1=C(C(=C(C(=O)O)C=C1)Cl)F |
| Synonyms | 4-amino-2-chloro-3-fluorobenzoic acid,
1124214-25-0,
SCHEMBL1020878,
NHDBDTBRXKRBQV-UHFFFAOYSA-N,
KS-000002BA,
MFCD20646129,
AKOS027323712,
ZINC115050244,
2-(5-bromopyridin-3-yl)-1,3-oxazole,
|
| Complexity | 190 |
| 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 | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.57g/mol |
| Monoisotopic Mass | 188.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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