CC(C)(C)OC(=O)NC1=C(C=C(C=C1)C(F)(F)F)C(=O)O
CAS: 141940-29-6
Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(trifluoromethyl)benzoic acid
SMILES: CC(C)(C)OC(=O)NC1=C(C=C(C=C1)C(F)(F)F)C(=O)O

Molecular Processing

Molecular formula
C13H14F3NO4
Molecular weight
305.25
Exact mass
305.0875
XLogP
3.75
TPSA
75.63
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
68.26

Supplementary Information

InChIKey: SFKKGJIKDGSCQC-UHFFFAOYSA-N
Synonyme
141940-29-62-((tert-Butoxycarbonyl)amino)-5-(trifluoromethyl)benzoic acidMFCD09859761Benzoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-5-(trifluoromethyl)-2-tert-Butoxycarbonylamino-5-trifluoromethyl-benzoic acid2-(tert-butoxycarbonylamino)-5-(trifluoromethyl)benzoic acid2-(BOC-amino)-5-(trifluoromethyl)benzoic acid2-{[(tert-butoxy)carbonyl]amino}-5-(trifluoromethyl)benzoic acid2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(trifluoromethyl)benzoic acidN-BOC-5-TRIFLUOROMETHYLANTHRANILIC ACID2-[(TERT-BUTOXYCARBONYL)AMINO]-5-(TRIFLUOROMETHYL)BENZOIC ACIDSCHEMBL686427DTXSID50567274SFKKGJIKDGSCQC-UHFFFAOYSA-MSFKKGJIKDGSCQC-UHFFFAOYSA-NAKOS014752858AB53754AS-76345SY195858DB-312919DB-337431CS-0154438EN300-91847D94519N-Boc 2-amino-5-(trifluoromethyl)benzoic acidN-Boc-2-amino-5-(trifluoromethyl)-benzoic acidF689841Z12624747442-(tert-butoxycarbonyl)amino-5-trifluoromethylbenzoic acid2-((TERT-BUTOXYCARBONYL)AMINO)-5-(TRIFLUOROMETHYL)BENZOICACID
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