1-(Boc-amino)-3-bromo-1-(2-fluorophenyl)propane - CAS 924818-00-8
Catalog: |
BB040529 |
Product Name: |
1-(Boc-amino)-3-bromo-1-(2-fluorophenyl)propane |
CAS: |
924818-00-8 |
Synonyms: |
N-[3-bromo-1-(2-fluorophenyl)propyl]carbamic acid tert-butyl ester; tert-butyl N-[3-bromo-1-(2-fluorophenyl)propyl]carbamate |
IUPAC Name: | tert-butyl N-[3-bromo-1-(2-fluorophenyl)propyl]carbamate |
Description: | 1-(Boc-amino)-3-bromo-1-(2-fluorophenyl)propane (CAS# 924818-00-8 ) is a useful research chemical. |
Molecular Weight: | 332.21 |
Molecular Formula: | C14H19BrFNO2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC(CCBr)C1=CC=CC=C1F |
InChI: | InChI=1S/C14H19BrFNO2/c1-14(2,3)19-13(18)17-12(8-9-15)10-6-4-5-7-11(10)16/h4-7,12H,8-9H2,1-3H3,(H,17,18) |
InChI Key: | SUWNCEQBXJGHSX-UHFFFAOYSA-N |
LogP: | 4.38090 |
Complexity: | 294 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 331.05832 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 331.05832 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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