Home Other Building Blocks N-BOC-BETA-ALANINE-BETA-4'-TRIFLUOROMETHYLPHENYL-N-CARBOXYANHYDRIDE

N-BOC-BETA-ALANINE-BETA-4'-TRIFLUOROMETHYLPHENYL-N-CARBOXYANHYDRIDE

CAS No.:
886362-59-0
Catalog Number:
AG00GSNI
Molecular Formula:
C16H16F3NO5
Molecular Weight:
359.2971
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Product Description
Catalog Number:
AG00GSNI
Chemical Name:
N-BOC-BETA-ALANINE-BETA-4'-TRIFLUOROMETHYLPHENYL-N-CARBOXYANHYDRIDE
CAS Number:
886362-59-0
Molecular Formula:
C16H16F3NO5
Molecular Weight:
359.2971
IUPAC Name:
tert-butyl 2,6-dioxo-4-[4-(trifluoromethyl)phenyl]-1,3-oxazinane-3-carboxylate
InChI:
InChI=1S/C16H16F3NO5/c1-15(2,3)25-14(23)20-11(8-12(21)24-13(20)22)9-4-6-10(7-5-9)16(17,18)19/h4-7,11H,8H2,1-3H3
InChI Key:
GTJHNHAOCHVEEG-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)N(C(C1)c1ccc(cc1)C(F)(F)F)C(=O)OC(C)(C)C
Properties
Complexity:
547  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.098g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.301g/mol
Monoisotopic Mass:
359.098g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties