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209688-24-4 | Benzoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-5-(trifluoromethyl)-, methyl ester
CAS No: 209688-24-4 Catalog No: AG002KCL MDL No:
Product Description
Catalog Number:
AG002KCL
Chemical Name:
Benzoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-5-(trifluoromethyl)-, methyl ester
CAS Number:
209688-24-4
Molecular Formula:
C14H16F3NO4
Molecular Weight:
319.2763
IUPAC Name:
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(trifluoromethyl)benzoate
InChI:
InChI=1S/C14H16F3NO4/c1-13(2,3)22-12(20)18-10-6-5-8(14(15,16)17)7-9(10)11(19)21-4/h5-7H,1-4H3,(H,18,20)
InChI Key:
NVXLETMQLIBSQG-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1NC(=O)OC(C)(C)C)C(F)(F)F
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.103g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.28g/mol
Monoisotopic Mass:
319.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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