| CAS Number | 887254-70-8 |
| Catalog Number | AG00453F(AGN-PC-0CI7N9) |
| Chemical Name | Carbamic acid, [1-(3-bromophenyl)-1-methylethyl]-, phenylmethyl ester |
| IUPAC Name | benzyl N-[2-(3-bromophenyl)propan-2-yl]carbamate |
| InChI | InChI=1S/C17H18BrNO2/c1-17(2,14-9-6-10-15(18)11-14)19-16(20)21-12-13-7-4-3-5-8-13/h3-11H,12H2,1-2H3,(H,19,20) |
| InChI Key | CGRWRJTWKLTVNA-UHFFFAOYSA-N |
| MDL Number | MFCD21609560 |
| Molecular Formula | C17H18BrNO2 |
| Molecular Weight | 348.2343 |
| SMILES | CC(C1=CC(Br)=CC=C1)(NC(OCC1=CC=CC=C1)=O)C |
| Synonyms | Benzyl N-[2-(3-bromophenyl)propan-2-yl]carbamate,
887254-70-8,
Benzyl (2-(3-bromophenyl)propan-2-yl)carbamate,
Benzyl [2-(3-bromophenyl)propan-2-yl]carbamate,
ACMC-209qwt,
SCHEMBL5106447,
CTK8B2577,
DTXSID80729585,
CGRWRJTWKLTVNA-UHFFFAOYSA-N,
ANW-39147,
MFCD21609560,
ZINC85483658,
AKOS026673866,
CJ-22520,
TC-127892,
V8704,
Benzyl 2-(3-bromophenyl)propan-2-ylcarbamate,
B-8995,
C17H18BrNO2,
N/A,
|
| Complexity | 340 |
| 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