| CAS Number | 159730-67-3 |
| Catalog Number | AG00AVFD(AGN-PC-0WQYC9) |
| Chemical Name | Benzyl 4-formylbenzylcarbamate |
| IUPAC Name | benzyl N-[(4-formylphenyl)methyl]carbamate |
| InChI | InChI=1S/C16H15NO3/c18-11-14-8-6-13(7-9-14)10-17-16(19)20-12-15-4-2-1-3-5-15/h1-9,11H,10,12H2,(H,17,19) |
| InChI Key | LUFPPIONGKGDDS-UHFFFAOYSA-N |
| MDL Number | MFCD11616724 |
| Molecular Formula | C16H15NO3 |
| Molecular Weight | 269.2952 |
| SMILES | C1=CC=C(C=C1)COC(=O)NCC2=CC=C(C=C2)C=O |
| Synonyms | BENZYL 4-FORMYLBENZYLCARBAMATE,
159730-67-3,
SCHEMBL2557853,
CTK2H2419,
MFCD11616724,
ZINC74938136,
SC-30938,
4-(Benzyloxycarbonylaminomethyl)benzaldehyde,
K-5009,
Carbamic acid, (4-formylphenyl)methyl-, phenylmethyl ester,
724704-84-1,
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| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.3g/mol |
| Monoisotopic Mass | 269.105g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number