| CAS Number | 1243164-13-7 |
| Catalog Number | AG000LTF(AGN-PC-0WCY9Y) |
| Chemical Name | 4-Fluoro-2-(methoxymethyl)-5-nitro-benzoic acid methyl ester |
| IUPAC Name | methyl 4-fluoro-2-(methoxymethyl)-5-nitrobenzoate |
| InChI | InChI=1S/C10H10FNO5/c1-16-5-6-3-8(11)9(12(14)15)4-7(6)10(13)17-2/h3-4H,5H2,1-2H3 |
| InChI Key | YTJCKPDAVNATIW-UHFFFAOYSA-N |
| MDL Number | MFCD22378816 |
| Molecular Formula | C10H10FNO5 |
| Molecular Weight | 243.1885 |
| SMILES | COCC1=CC(F)=C(C=C1C(=O)OC)[N+]([O-])=O |
| Synonyms | 1243164-13-7,
methyl 4-fluoro-2-(methoxymethyl)-5-nitrobenzoate,
Methyl 4-fluoro-2-methoxymethyl-5-nitrobenzoate,
4-Fluoro-2-(methoxymethyl)-5-nitro-benzoic acid methyl ester,
SCHEMBL471045,
YTJCKPDAVNATIW-UHFFFAOYSA-N,
BCP11729,
ZX-AP002424,
MFCD22378816,
ZINC75759778,
AKOS027254230,
PC49238,
AK204557,
AS-40514,
2-Fluoro-5-(methoxycarbonyl)-4-(methoxymethyl)nitrobenzene,
Benzoic acid, 4-fluoro-2-(methoxymethyl)-5-nitro-, methyl ester,
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| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.19g/mol |
| Monoisotopic Mass | 243.054g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 81.4A^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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H312-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number