| CAS Number | 770719-22-7 |
| Catalog Number | AG003EQL(AGN-PC-0HH4OJ) |
| Chemical Name | 2-(2,5-Difluoro-4-nitrophenyl)acetic Acid |
| IUPAC Name | 2-(2,5-difluoro-4-nitrophenyl)acetic acid |
| InChI | InChI=1S/C8H5F2NO4/c9-5-3-7(11(14)15)6(10)1-4(5)2-8(12)13/h1,3H,2H2,(H,12,13) |
| InChI Key | TVRVWDBXMJDAKV-UHFFFAOYSA-N |
| MDL Number | MFCD15527647 |
| Molecular Formula | C8H5F2NO4 |
| Molecular Weight | 217.1264 |
| SMILES | O=C(O)CC1=CC(F)=C([N+]([O-])=O)C=C1F |
| Synonyms | 2-(2,5-Difluoro-4-nitrophenyl)acetic Acid,
770719-22-7,
Benzeneacetic acid, 2,5-difluoro-4-nitro-,
(2,5-difluoro-4-nitrophenyl)acetic acid,
SCHEMBL2728932,
KS-00000CYH,
TVRVWDBXMJDAKV-UHFFFAOYSA-N,
MFCD15527647,
AKOS027257011,
ZINC145705602,
CS-11799,
SY030688,
2-(2,5-Difluoro-4-nitrophenyl)aceticAcid,
FT-0709962,
MFCD15527647 (95%),
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.128g/mol |
| Monoisotopic Mass | 217.019g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number