sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 3-(Trifluoromethyl)benzamide

3-(Trifluoromethyl)benzamide

CAS No.:
1801-10-1
Catalog Number:
AG0021PJ
Molecular Formula:
C8H6F3NO
Molecular Weight:
189.1345
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$19
- +
5g
95%
In Stock USA
United States
$44
- +
25g
95%
In Stock USA
United States
$119
- +
100g
95%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG0021PJ
Chemical Name:
3-(Trifluoromethyl)benzamide
CAS Number:
1801-10-1
Molecular Formula:
C8H6F3NO
Molecular Weight:
189.1345
MDL Number:
MFCD00014802
IUPAC Name:
3-(trifluoromethyl)benzamide
InChI:
InChI=1S/C8H6F3NO/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H2,12,13)
InChI Key:
XBGXGCOLWCMVOI-UHFFFAOYSA-N
SMILES:
NC(=O)c1cccc(c1)C(F)(F)F
EC Number:
217-289-6
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:
2.3  
Literature
Title Journal
A general strategy for creating 'inactive-conformation' abl inhibitors. Chemistry & biology 20060701
Properties