| CAS Number | 1400644-29-2 |
| Catalog Number | AG009X1R(AGN-PC-0WACKM) |
| Chemical Name | Benzyl N-[2-(4-chlorophenyl)propan-2-yl]carbamate |
| IUPAC Name | benzyl N-[2-(4-chlorophenyl)propan-2-yl]carbamate |
| InChI | InChI=1S/C17H18ClNO2/c1-17(2,14-8-10-15(18)11-9-14)19-16(20)21-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,19,20) |
| InChI Key | TZZGUVVTYNUNPY-UHFFFAOYSA-N |
| MDL Number | MFCD22421512 |
| Molecular Formula | C17H18ClNO2 |
| Molecular Weight | 303.7833 |
| SMILES | O=C(NC(c1ccc(cc1)Cl)(C)C)OCc1ccccc1 |
| Synonyms | BENZYL N-[2-(4-CHLOROPHENYL)PROPAN-2-YL]CARBAMATE,
1400644-29-2,
Benzyl (2-(4-chlorophenyl)propan-2-yl)carbamate,
KM3826,
ZINC95495573,
V2993,
C17H18ClNO2,
N/A,
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| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.786g/mol |
| Monoisotopic Mass | 303.103g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Certificate of Analysis
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