| CAS Number | 1381944-75-7 |
| Catalog Number | AG00187L(AGN-PC-0J2CCU) |
| Chemical Name | Benzyl N-[4-(4-cyano-3-fluorophenyl)phenyl]carbamate |
| IUPAC Name | benzyl N-[4-(4-cyano-3-fluorophenyl)phenyl]carbamate |
| InChI | InChI=1S/C21H15FN2O2/c22-20-12-17(6-7-18(20)13-23)16-8-10-19(11-9-16)24-21(25)26-14-15-4-2-1-3-5-15/h1-12H,14H2,(H,24,25) |
| InChI Key | GXVLLWPSFPWDHT-UHFFFAOYSA-N |
| MDL Number | MFCD22375060 |
| Molecular Formula | C21H15FN2O2 |
| Molecular Weight | 346.3544 |
| SMILES | N#Cc1ccc(cc1F)c1ccc(cc1)NC(=O)OCc1ccccc1 |
| Synonyms | Benzyl N-[4-(4-cyano-3-fluorophenyl)phenyl]carbamate,
1381944-75-7,
C21H15FN2O2,
ACMC-209cgs,
CTK8B0742,
DTXSID80743064,
ANW-20426,
MFCD22375060,
ZINC85477328,
AKOS026673136,
CJ-22470,
TC-109171,
V2847,
Benzyl (4'-cyano-3'-fluoro[1,1'-biphenyl]-4-yl)carbamate,
Carbamic acid, N-(4'-cyano-3'-fluoro[1,1'-biphenyl]-4-yl)-, phenylmethyl ester,
GXVLLWPSFPWDHT-UHFFFAOYSA-N,
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| Complexity | 503 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 346.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 346.361g/mol |
| Monoisotopic Mass | 346.112g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 62.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number