| CAS Number | 849537-85-5 |
| Catalog Number | AG00G9LS(AGN-PC-0WAEHV) |
| Chemical Name | N-Cyclohexyl 4-bromo-3-nitrobenzamide |
| IUPAC Name | 4-bromo-N-cyclohexyl-3-nitrobenzamide |
| InChI | InChI=1S/C13H15BrN2O3/c14-11-7-6-9(8-12(11)16(18)19)13(17)15-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,15,17) |
| InChI Key | PYLMKAHJFNUPPE-UHFFFAOYSA-N |
| MDL Number | MFCD07356031 |
| Molecular Formula | C13H15BrN2O3 |
| Molecular Weight | 327.1738 |
| SMILES | O=C(c1ccc(c(c1)[N+](=O)[O-])Br)NC1CCCCC1 |
| Synonyms | 4-bromo-N-cyclohexyl-3-nitrobenzamide,
849537-85-5,
N-Byclohexyl 4-bromo-3-nitrobenzamide,
N-Cyclohexyl 4-bromo-3-nitrobenzamide,
AC1NJJ7Y,
ZINC6851272,
KM3747,
MFCD07356031,
AKOS008916521,
MCULE-5782154288,
V7993,
B-8431,
Z27759310,
C13H15BrN2O3,
ZINC06851272,
CID4822453,
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| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.178g/mol |
| Monoisotopic Mass | 326.027g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number