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19165-29-8 | Benzoic acid, 2-[(2,2,2-trifluoroacetyl)amino]-
CAS No: 19165-29-8 Catalog No: AG002FEK MDL No:MFCD09836253
Product Description
Catalog Number:
AG002FEK
Chemical Name:
Benzoic acid, 2-[(2,2,2-trifluoroacetyl)amino]-
CAS Number:
19165-29-8
Molecular Formula:
C9H6F3NO3
Molecular Weight:
233.1440
MDL Number:
MFCD09836253
IUPAC Name:
2-[(2,2,2-trifluoroacetyl)amino]benzoic acid
InChI:
InChI=1S/C9H6F3NO3/c10-9(11,12)8(16)13-6-4-2-1-3-5(6)7(14)15/h1-4H,(H,13,16)(H,14,15)
InChI Key:
LAZKSSYOKYWMRN-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)Nc1ccccc1C(=O)O
NSC Number:
84505
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.03g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.146g/mol
Monoisotopic Mass:
233.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Synthesis of tricyclic analogues of methyllycaconitine using ring closing metathesis to append a B ring to an AE azabicyclic fragment. | Organic & biomolecular chemistry 20040607 |
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