| CAS Number | 578729-08-5 |
| Catalog Number | AG00EKP9(AGN-PC-03OG0W) |
| Chemical Name | Benzyl N-[2-(4-bromophenyl)propan-2-yl]carbamate |
| IUPAC Name | benzyl N-[2-(4-bromophenyl)propan-2-yl]carbamate |
| InChI | InChI=1S/C17H18BrNO2/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 | IOHGBDDCFVCMRL-UHFFFAOYSA-N |
| MDL Number | MFCD21609561 |
| Molecular Formula | C17H18BrNO2 |
| Molecular Weight | 348.2343 |
| SMILES | CC(C1=CC=C(Br)C=C1)(NC(OCC1=CC=CC=C1)=O)C |
| Synonyms | Benzyl N-[2-(4-bromophenyl)propan-2-yl]carbamate,
578729-08-5,
ACMC-209m11,
SCHEMBL6182357,
CTK8B1947,
DTXSID70625128,
ANW-32819,
KM0151,
MFCD21609561,
ZINC85482238,
AKOS026673736,
TC-121564,
V6742,
Benzyl [2-(4-bromophenyl)propan-2-yl]carbamate,
C17H18BrNO2,
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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 | 347.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.24g/mol |
| Monoisotopic Mass | 347.052g/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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number