| CAS Number | 1345471-72-8 |
| Catalog Number | AG007M35(AGN-PC-0BGI53) |
| Chemical Name | N-Benzyl-4-bromo-5-ethoxy-2-nitroaniline |
| IUPAC Name | N-benzyl-4-bromo-5-ethoxy-2-nitroaniline |
| InChI | InChI=1S/C15H15BrN2O3/c1-2-21-15-9-13(14(18(19)20)8-12(15)16)17-10-11-6-4-3-5-7-11/h3-9,17H,2,10H2,1H3 |
| InChI Key | AVKYKIKHFLRLSL-UHFFFAOYSA-N |
| MDL Number | MFCD20441780 |
| Molecular Formula | C15H15BrN2O3 |
| Molecular Weight | 351.1952 |
| SMILES | [Br]C2(=C(OCC)C=C(NCC1(=CC=CC=C1))C(=C2)[N+](=O)[O-]) |
| Synonyms | N-Benzyl-4-bromo-5-ethoxy-2-nitroaniline,
1345471-72-8,
ACMC-209bvj,
CTK8B0242,
DTXSID40718319,
ANW-19661,
MFCD20441780,
ZINC74937727,
AS-20165,
TC-108406,
Z9787,
B-8780,
C15H15BrN2O3,
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| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 350.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 351.2g/mol |
| Monoisotopic Mass | 350.027g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 67.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number