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1242095-23-3 | ((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)valine
CAS No: 1242095-23-3 Catalog No: AG01FN3G MDL No:MFCD07433685
Product Description
Catalog Number:
AG01FN3G
Chemical Name:
((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)valine
CAS Number:
1242095-23-3
Molecular Formula:
C12H13ClF3NO4S
Molecular Weight:
359.7491
MDL Number:
MFCD07433685
IUPAC Name:
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-3-methylbutanoic acid
InChI:
InChI=1S/C12H13ClF3NO4S/c1-6(2)10(11(18)19)17-22(20,21)7-3-4-9(13)8(5-7)12(14,15)16/h3-6,10,17H,1-2H3,(H,18,19)
InChI Key:
IGSDVRVGWMUAPT-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)O)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl)C
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.021g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
359.744g/mol
Monoisotopic Mass:
359.021g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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