| CAS Number | 951667-98-4 |
| Catalog Number | AG00IISP(AGN-PC-0WOL0I) |
| Chemical Name | 5-fluoro-2-nitro-N-propylaniline |
| IUPAC Name | 5-fluoro-2-nitro-N-propylaniline |
| InChI | InChI=1S/C9H11FN2O2/c1-2-5-11-8-6-7(10)3-4-9(8)12(13)14/h3-4,6,11H,2,5H2,1H3 |
| InChI Key | YDBGMWGWMVRJRH-UHFFFAOYSA-N |
| MDL Number | MFCD16744200 |
| Molecular Formula | C9H11FN2O2 |
| Molecular Weight | 198.1942 |
| SMILES | CCCNC1=C([N+]([O-])=O)C=CC(F)=C1 |
| Synonyms | 5-fluoro-2-nitro-N-propylaniline,
951667-98-4,
AC1Q2Y3M,
SCHEMBL3515437,
YDBGMWGWMVRJRH-UHFFFAOYSA-N,
ZINC52119034,
AKOS011662565,
NE42512,
(5-fluoro-2-nitro-phenyl)-propyl-amine,
Benzenamine, 5-fluoro-2-nitro-N-propyl-,
CJ-20698,
V9501,
EN300-72007,
C9H11FN2O2,
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| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.197g/mol |
| Monoisotopic Mass | 198.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number