| CAS Number | 106754-80-7 |
| Catalog Number | AG00834C(AGN-PC-00N86N) |
| Chemical Name | 4-Fluoro-2-nitrobenzamide |
| IUPAC Name | 4-fluoro-2-nitrobenzamide |
| InChI | InChI=1S/C7H5FN2O3/c8-4-1-2-5(7(9)11)6(3-4)10(12)13/h1-3H,(H2,9,11) |
| InChI Key | VSWSFFDDRSVJSR-UHFFFAOYSA-N |
| MDL Number | MFCD04108565 |
| Molecular Formula | C7H5FN2O3 |
| Molecular Weight | 184.1246 |
| SMILES | O=C(N)C1=CC=C(F)C=C1[N+]([O-])=O |
| Synonyms | 4-FLUORO-2-NITROBENZAMIDE,
106754-80-7,
SCHEMBL404749,
ACMC-2098m5,
Benzamide, 4-fluoro-2-nitro-,
CTK4A4746,
DTXSID90544660,
BUTTPARK 89\07-47,
ZINC6925794,
ANW-15435,
MFCD04108565,
AKOS006295407,
RTR-001343,
AJ-57040,
CJ-13138,
TR-001343,
Z6908,
A-4412,
I01-11693,
C7H5FN2O3,
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| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.126g/mol |
| Monoisotopic Mass | 184.028g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 88.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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Hazard statements
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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