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360-64-5 | 2-(Trifluoromethyl)benzamide
CAS No: 360-64-5 Catalog No: AG003F5H MDL No:MFCD00014798
Product Description
Catalog Number:
AG003F5H
Chemical Name:
2-(Trifluoromethyl)benzamide
CAS Number:
360-64-5
Molecular Formula:
C8H6F3NO
Molecular Weight:
189.1345
MDL Number:
MFCD00014798
IUPAC Name:
2-(trifluoromethyl)benzamide
InChI:
InChI=1S/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)
InChI Key:
QBAYIBZITZBSFO-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccccc1C(F)(F)F
EC Number:
206-637-2
UNII:
5U8Y7E6AIO
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.137g/mol
Monoisotopic Mass:
189.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Self-assembly driven by an aromatic primary amide motif. | Organic & biomolecular chemistry 20120728 |
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