| CAS Number | 1033202-35-5 |
| Catalog Number | AG003MK9(AGN-PC-07XTUS) |
| Chemical Name | 5-Bromo-N-(4-methoxybenzyl)-3-nitropyridin-2-amine |
| IUPAC Name | 5-bromo-N-[(4-methoxyphenyl)methyl]-3-nitropyridin-2-amine |
| InChI | InChI=1S/C13H12BrN3O3/c1-20-11-4-2-9(3-5-11)7-15-13-12(17(18)19)6-10(14)8-16-13/h2-6,8H,7H2,1H3,(H,15,16) |
| InChI Key | FQFRHGLSEXNIPN-UHFFFAOYSA-N |
| MDL Number | MFCD10699706 |
| Molecular Formula | C13H12BrN3O3 |
| Molecular Weight | 338.1567 |
| SMILES | O=[N+](C1=CC(Br)=CN=C1NCC2=CC=C(OC)C=C2)[O-] |
| Synonyms | 5-Bromo-N-(4-methoxybenzyl)-3-nitropyridin-2-amine,
1033202-35-5,
C13H12BrN3O3,
ACMC-20986j,
CTK4A1976,
DTXSID80674445,
ANW-14873,
MFCD10699706,
ZINC38537007,
AKOS010478372,
RTR-000783,
AJ-95801,
OR345174,
AX8229888,
ST2406156,
TR-000783,
Z6639,
A-4265,
I01-11178,
5-bromo-N-[(4-methoxyphenyl)methyl]-3-nitropyridin-2-amine,
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| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 338.161g/mol |
| Monoisotopic Mass | 337.006g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number