| CAS Number | 1330750-40-7 |
| Catalog Number | AG00146C(AGN-PC-0WCCQO) |
| Chemical Name | N-Benzyl-4-bromo-5-fluoro-2-nitroaniline |
| IUPAC Name | N-benzyl-4-bromo-5-fluoro-2-nitroaniline |
| InChI | InChI=1S/C13H10BrFN2O2/c14-10-6-13(17(18)19)12(7-11(10)15)16-8-9-4-2-1-3-5-9/h1-7,16H,8H2 |
| InChI Key | VYYWWISQACSPII-UHFFFAOYSA-N |
| MDL Number | MFCD19981501 |
| Molecular Formula | C13H10BrFN2O2 |
| Molecular Weight | 325.1331 |
| SMILES | [Br]C2(=C(F)C=C(NCC1(=CC=CC=C1))C(=C2)[N+](=O)[O-]) |
| Synonyms | N-Benzyl-4-bromo-5-fluoro-2-nitroaniline,
1330750-40-7,
ACMC-209br4,
SCHEMBL18112895,
CTK8B0172,
DTXSID90716683,
ANW-19502,
MFCD19981501,
ZINC74937717,
AKOS015156548,
AS-20162,
AJ-121418,
TC-108247,
ST24025626,
Z9683,
I14-25132,
Benzenemethanamine, N-(4-bromo-5-fluoro-2-nitrophenyl)-,
C13H10BrFN2O2,
B-7138,
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| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.137g/mol |
| Monoisotopic Mass | 323.991g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number