N-Boc-3-fluoroaniline - CAS 81740-18-3
Catalog: |
BB036702 |
Product Name: |
N-Boc-3-fluoroaniline |
CAS: |
81740-18-3 |
Synonyms: |
N-(3-fluorophenyl)carbamic acid tert-butyl ester; tert-butyl N-(3-fluorophenyl)carbamate |
IUPAC Name: | tert-butyl N-(3-fluorophenyl)carbamate |
Description: | N-Boc-3-fluoroaniline (CAS# 81740-18-3) is a useful research chemical. |
Molecular Weight: | 211.23 |
Molecular Formula: | C11H14FNO2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CC(=CC=C1)F |
InChI: | InChI=1S/C11H14FNO2/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h4-7H,1-3H3,(H,13,14) |
InChI Key: | ZTELOKGOCXECBW-UHFFFAOYSA-N |
Boiling Point: | 231.6 ℃ at 760 mmHg |
Density: | 1.156 g/cm3 |
MDL: | MFCD04035656 |
LogP: | 3.24570 |
Publication Number | Title | Priority Date |
WO-2021016333-A1 | Aryl sulfonamides as small molecule stat3 inhibitors | 20190722 |
WO-2015069110-A1 | Multiple d2 a(nta)gonists/h3 antagonists for treatment of cns-related disorders | 20131107 |
CA-2799653-A1 | Substituted isoquinolines and their use as tubulin polymerization inhibitors | 20100604 |
US-2013131018-A1 | Substituted isoquinolines and their use as tubulin polymerization inhibitors | 20100604 |
WO-2011151423-A1 | Substituted isoquinolines and their use as tubulin polymerization inhibitors | 20100604 |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.10085685 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.10085685 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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