4-(Cbz-Amino)-4'-formylbiphenyl - CAS 939758-25-5
Catalog: |
BB070466 |
Product Name: |
4-(Cbz-Amino)-4'-formylbiphenyl |
CAS: |
939758-25-5 |
Synonyms: |
N-(4'-Formyl[1,1'-biphenyl]-4-yl)-phenylmethyl Ester Carbamic Acid |
IUPAC Name: | benzyl N-[4-(4-formylphenyl)phenyl]carbamate |
Description: | 4-(Cbz-Amino)-4'-formylbiphenyl |
Molecular Weight: | 331.37 |
Molecular Formula: | C21H17NO3 |
Canonical SMILES: | C1=CC=C(C=C1)COC(=O)NC2=CC=C(C=C2)C3=CC=C(C=C3)C=O |
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 |
Complexity: | 417 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 331.1208434 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 331.1208434 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 55.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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