| CAS Number | 191170-76-0 |
| Catalog Number | AG00ASW7(AGN-PC-0NHK5C) |
| Chemical Name | Benzyl 4-bromophenethylcarbamate |
| IUPAC Name | benzyl N-[2-(4-bromophenyl)ethyl]carbamate |
| InChI | InChI=1S/C16H16BrNO2/c17-15-8-6-13(7-9-15)10-11-18-16(19)20-12-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,18,19) |
| InChI Key | WIUKEHNGQSSRHQ-UHFFFAOYSA-N |
| MDL Number | MFCD18804947 |
| Molecular Formula | C16H16BrNO2 |
| Molecular Weight | 334.2077 |
| SMILES | BrC1=CC=C(CCNC(OCC2=CC=CC=C2)=O)C=C1 |
| Synonyms | BENZYL 4-BROMOPHENETHYLCARBAMATE,
191170-76-0,
benzyl4-bromophenethylcarbamate,
SCHEMBL10305302,
CTK8H4225,
MFCD11616722,
ZINC74938133,
AKOS026673595,
4-Bromophenethylcarbamic acid benzyl ester,
AS-44182,
K-5697,
A1-08578,
BENZYL N-[2-(4-BROMOPHENYL)ETHYL]CARBAMATE,
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| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.213g/mol |
| Monoisotopic Mass | 333.036g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number