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Home > Fluorides > 131238-02-3
131238-02-3 | Benzamide, 4-azido-N-[2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]-2,3,5,6-tetrafluoro-, (S)- (9CI)
CAS No: 131238-02-3 Catalog No: AG000VS9 MDL No:
Product Description
Catalog Number:
AG000VS9
Chemical Name:
Benzamide, 4-azido-N-[2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]-2,3,5,6-tetrafluoro-, (S)- (9CI)
CAS Number:
131238-02-3
Molecular Formula:
C20H13F4N5O6
Molecular Weight:
495.3407
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) (2S)-2-[(4-azido-2,3,5,6-tetrafluorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate
InChI:
InChI=1S/C20H13F4N5O6/c21-14-13(15(22)17(24)18(16(14)23)27-28-25)19(33)26-10(7-8-1-3-9(30)4-2-8)20(34)35-29-11(31)5-6-12(29)32/h1-4,10,30H,5-7H2,(H,26,33)/t10-/m0/s1
InChI Key:
XABONMPGCGYPCZ-JTQLQIEISA-N
SMILES:
[N-]=[N+]=Nc1c(F)c(F)c(c(c1F)F)C(=O)N[C@H](C(=O)ON1C(=O)CCC1=O)Cc1ccc(cc1)O
Properties
Complexity:
865
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
495.08g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
495.347g/mol
Monoisotopic Mass:
495.08g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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