Benzyl 4-bromophenethylcarbamate - CAS 191170-76-0
Catalog: |
BB073786 |
Product Name: |
Benzyl 4-bromophenethylcarbamate |
CAS: |
191170-76-0 |
Synonyms: |
BENZYL 4-BROMOPHENETHYLCARBAMATE; benzyl4-bromophenethylcarbamate; BENZYL N-[2-(4-BROMOPHENYL)ETHYL]CARBAMATE |
IUPAC Name: | benzyl N-[2-(4-bromophenyl)ethyl]carbamate |
Description: | Benzyl 4-bromophenethylcarbamate |
Molecular Weight: | 334.21 |
Molecular Formula: | C16H16BrNO2 |
Canonical SMILES: | C1=CC=C(C=C1)COC(=O)NCCC2=CC=C(C=C2)Br |
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 |
Complexity: | 284 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 333.03644 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 333.03644 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 38.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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