| CAS Number | 127506-06-3 |
| Catalog Number | AG00A0LC(AGN-PC-0WNPYL) |
| Chemical Name | (2-Formyl-phenyl)-carbamic acid benzyl ester |
| IUPAC Name | benzyl N-(2-formylphenyl)carbamate |
| InChI | InChI=1S/C15H13NO3/c17-10-13-8-4-5-9-14(13)16-15(18)19-11-12-6-2-1-3-7-12/h1-10H,11H2,(H,16,18) |
| InChI Key | JABABUPJKIXZCW-UHFFFAOYSA-N |
| MDL Number | MFCD11616723 |
| Molecular Formula | C15H13NO3 |
| Molecular Weight | 255.2686 |
| SMILES | c1ccc(cc1)COC(=O)Nc2ccccc2C=O |
| Synonyms | 127506-06-3,
Benzyl (2-formylphenyl)carbamate,
(2-Formyl-phenyl)-carbamic acid benzyl ester,
benzyl2-formylphenylcarbamate,
DTXSID20561466,
benzyl N-(2-formylphenyl)carbamate,
MFCD11616723,
ZINC34316838,
2-(Benzyloxycarbonylamino)benzaldehyde,
BENZYL 2-FORMYLPHENYLCARBAMATE,
AKOS027427211,
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| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.273g/mol |
| Monoisotopic Mass | 255.09g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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