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232276-01-6 | L-Phenylalanine, 4-bromo-N-(2,6-dichlorobenzoyl)-, ethyl ester
CAS No: 232276-01-6 Catalog No: AG002MLC MDL No:
Product Description
Catalog Number:
AG002MLC
Chemical Name:
L-Phenylalanine, 4-bromo-N-(2,6-dichlorobenzoyl)-, ethyl ester
CAS Number:
232276-01-6
Molecular Formula:
C18H16BrCl2NO3
Molecular Weight:
445.1345
IUPAC Name:
ethyl (2S)-3-(4-bromophenyl)-2-[(2,6-dichlorobenzoyl)amino]propanoate
InChI:
InChI=1S/C18H16BrCl2NO3/c1-2-25-18(24)15(10-11-6-8-12(19)9-7-11)22-17(23)16-13(20)4-3-5-14(16)21/h3-9,15H,2,10H2,1H3,(H,22,23)/t15-/m0/s1
InChI Key:
NEAGYRGZNJWPLE-HNNXBMFYSA-N
SMILES:
CCOC(=O)[C@H](Cc1ccc(cc1)Br)NC(=O)c1c(Cl)cccc1Cl
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
442.969g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
445.134g/mol
Monoisotopic Mass:
442.969g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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