| CAS Number | 939758-25-5 |
| Catalog Number | AG005WRJ(AGN-PC-0WA9HO) |
| Chemical Name | 4-(Cbz-Amino)-4'-formylbiphenyl |
| IUPAC Name | benzyl N-[4-(4-formylphenyl)phenyl]carbamate |
| InChI | InChI=1S/C21H17NO3/c23-14-16-6-8-18(9-7-16)19-10-12-20(13-11-19)22-21(24)25-15-17-4-2-1-3-5-17/h1-14H,15H2,(H,22,24) |
| InChI Key | VNWRCUFWYFESLU-UHFFFAOYSA-N |
| MDL Number | MFCD09026264 |
| Molecular Formula | C21H17NO3 |
| Molecular Weight | 331.3646 |
| SMILES | O=Cc1ccc(cc1)c1ccc(cc1)NC(=O)OCc1ccccc1 |
| Synonyms | 4-(Cbz-Amino)-4'-formylbiphenyl,
939758-25-5,
(4'-formylbiphenyl-4-yl)carbamic acid benzyl ester,
Benzyl (4'-formyl-[1,1'-biphenyl]-4-yl)carbamate,
ACMC-209roe,
CTK8B2727,
DTXSID70585632,
ZINC8699303,
ANW-40140,
KM3242,
MFCD09026264,
AJ-58195,
TC-128885,
V9333,
Benzyl (4'-formyl[1,1'-biphenyl]-4-yl)carbamate,
C21H17NO3,
Benzyl (4/'-formyl[1,1/'-biphenyl]-4-yl)carbamate,
(4'-FORMYL-BIPHENYL-4-YL)-CARBAMIC ACID BENZYL ESTER,
|
| Complexity | 417 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 331.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.371g/mol |
| Monoisotopic Mass | 331.121g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number