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89634-73-1 | Valine, N-[4-chloro-2-(trifluoromethyl)phenyl]-
CAS No: 89634-73-1 Catalog No: AG003W8Z MDL No:
Product Description
Catalog Number:
AG003W8Z
Chemical Name:
Valine, N-[4-chloro-2-(trifluoromethyl)phenyl]-
CAS Number:
89634-73-1
Molecular Formula:
C12H13ClF3NO2
Molecular Weight:
295.6853
IUPAC Name:
2-[4-chloro-2-(trifluoromethyl)anilino]-3-methylbutanoic acid
InChI:
InChI=1S/C12H13ClF3NO2/c1-6(2)10(11(18)19)17-9-4-3-7(13)5-8(9)12(14,15)16/h3-6,10,17H,1-2H3,(H,18,19)
InChI Key:
RGIDVJZRFXIKEJ-UHFFFAOYSA-N
SMILES:
CC([C@@H](C(=O)O)Nc1ccc(cc1C(F)(F)F)Cl)C
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.059g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.686g/mol
Monoisotopic Mass:
295.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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