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115820-03-6 | L-Phenylalanine, 4-bromo-N-(trifluoroacetyl)- (9CI)
CAS No: 115820-03-6 Catalog No: AG000GWU MDL No:
Product Description
Catalog Number:
AG000GWU
Chemical Name:
L-Phenylalanine, 4-bromo-N-(trifluoroacetyl)- (9CI)
CAS Number:
115820-03-6
Molecular Formula:
C11H9BrF3NO3
Molecular Weight:
340.0933
IUPAC Name:
3-(4-bromophenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
InChI:
InChI=1S/C11H9BrF3NO3/c12-7-3-1-6(2-4-7)5-8(9(17)18)16-10(19)11(13,14)15/h1-4,8H,5H2,(H,16,19)(H,17,18)
InChI Key:
FHKPKYARNOWAGN-UHFFFAOYSA-N
SMILES:
OC(=O)[C@H](Cc1ccc(cc1)Br)NC(=O)C(F)(F)F
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.972g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
340.096g/mol
Monoisotopic Mass:
338.972g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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