4'-((tert-Butoxycarbonyl)amino)-[1,1'-biphenyl]-4-carboxylic Acid - CAS 222986-59-6
Catalog: |
BB070983 |
Product Name: |
4'-((tert-Butoxycarbonyl)amino)-[1,1'-biphenyl]-4-carboxylic Acid |
CAS: |
222986-59-6 |
Synonyms: |
4'-(Boc-amino)-biphenyl-4-carboxylic acid; 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid; 4'-[(tert-Butoxycarbonyl)amino][1,1'-biphenyl]-4-carboxylic acid |
IUPAC Name: | 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid |
Molecular Weight: | 313.35 |
Molecular Formula: | C18H19NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C18H19NO4/c1-18(2,3)23-17(22)19-15-10-8-13(9-11-15)12-4-6-14(7-5-12)16(20)21/h4-11H,1-3H3,(H,19,22)(H,20,21) |
InChI Key: | MPYIQVSAEHFQHB-UHFFFAOYSA-N |
Complexity: | 413 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 313.13140809 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 313.13140809 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 75.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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