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1038619-52-1 | ((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)leucine
CAS No: 1038619-52-1 Catalog No: AG01FN1L MDL No:MFCD03619023
Product Description
Catalog Number:
AG01FN1L
Chemical Name:
((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)leucine
CAS Number:
1038619-52-1
Molecular Formula:
C13H15ClF3NO4S
Molecular Weight:
373.7757
MDL Number:
MFCD03619023
IUPAC Name:
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-methylpentanoic acid
InChI:
InChI=1S/C13H15ClF3NO4S/c1-7(2)5-11(12(19)20)18-23(21,22)8-3-4-10(14)9(6-8)13(15,16)17/h3-4,6-7,11,18H,5H2,1-2H3,(H,19,20)
InChI Key:
MYXJXYANNGCHDR-UHFFFAOYSA-N
SMILES:
CC(CC(C(=O)O)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl)C
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.036g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
373.771g/mol
Monoisotopic Mass:
373.036g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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