2'-(Fmoc-aminomethyl)-biphenyl-2-carboxylic acid - CAS 946716-21-8
Catalog: |
BB064766 |
Product Name: |
2'-(Fmoc-aminomethyl)-biphenyl-2-carboxylic acid |
CAS: |
946716-21-8 |
Synonyms: |
2'-(((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)methyl)-[1,1'-biphenyl]-2-carboxylic acid; 2'-(Fmoc-aminomethyl)-biphenyl-2-carboxylic acid; 2'-(Fmoc-aminomethyl)biphenyl-2-carboxylic acid; 2-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]benzoic acid; 2'-[(Fmoc-amino)methyl]-biphenyl-2-carboxylic acid |
IUPAC Name: | 2-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]benzoic acid |
Description: | 2'-(Fmoc-aminomethyl)-biphenyl-2-carboxylic acid |
Molecular Weight: | 449.5 |
Molecular Formula: | C29H23NO4 |
Canonical SMILES: | C1=CC=C(C(=C1)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C5=CC=CC=C5C(=O)O |
InChI: | InChI=1S/C29H23NO4/c31-28(32)26-16-8-7-11-21(26)20-10-2-1-9-19(20)17-30-29(33)34-18-27-24-14-5-3-12-22(24)23-13-4-6-15-25(23)27/h1-16,27H,17-18H2,(H,30,33)(H,31,32) |
InChI Key: | LPDFSBJCAJQPNJ-UHFFFAOYSA-N |
Complexity: | 688 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 449.16270821 |
Formal Charge: | 0 |
Heavy Atom Count: | 34 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 449.16270821 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 75.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.7 |
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