| CAS Number | 1269292-82-1 |
| Catalog Number | AG000TKB(AGN-PC-0WD0C6) |
| Chemical Name | 2-Amino-4-methoxy-5-nitrobenzonitrile |
| IUPAC Name | 2-amino-4-methoxy-5-nitrobenzonitrile |
| InChI | InChI=1S/C8H7N3O3/c1-14-8-3-6(10)5(4-9)2-7(8)11(12)13/h2-3H,10H2,1H3 |
| InChI Key | LYDXIVHSGDCURB-UHFFFAOYSA-N |
| MDL Number | MFCD18072416 |
| Molecular Formula | C8H7N3O3 |
| Molecular Weight | 193.1595 |
| SMILES | N#CC1=CC([N+]([O-])=O)=C(OC)C=C1N |
| Synonyms | 2-amino-4-methoxy-5-nitrobenzonitrile,
1269292-82-1,
DTXSID50718986,
5289AA,
ZINC72190461,
AKOS016009998,
ACN-000337,
FCH1150023,
Benzonitrile, 2-amino-4-methoxy-5-nitro-,
AJ-119205,
AX8221547,
DB-062553,
CS-0061900,
FT-0705765,
C8H7N3O3,
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| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.162g/mol |
| Monoisotopic Mass | 193.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number