| CAS Number | 1314987-88-6 |
| Catalog Number | AG00HSJ9(AGN-PC-0WQYC6) |
| Chemical Name | BENZYL 2-(BROMOMETHYL)PHENYLCARBAMATE |
| IUPAC Name | benzyl N-[2-(bromomethyl)phenyl]carbamate |
| InChI | InChI=1S/C15H14BrNO2/c16-10-13-8-4-5-9-14(13)17-15(18)19-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18) |
| InChI Key | GPZUDOZFMADUBM-UHFFFAOYSA-N |
| MDL Number | MFCD11616721 |
| Molecular Formula | C15H14BrNO2 |
| Molecular Weight | 320.1812 |
| SMILES | BrCc1ccccc1NC(=O)OCc1ccccc1 |
| Synonyms | BENZYL 2-(BROMOMETHYL)PHENYLCARBAMATE,
1314987-88-6,
Benzyl (2-(bromomethyl)phenyl)carbamate,
MFCD11616721,
ZINC74938131,
K-4122,
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| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.186g/mol |
| Monoisotopic Mass | 319.021g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
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