Home Other Building Blocks 3-acetamido-5-(trifluoromethyl)benzoic acid

3-acetamido-5-(trifluoromethyl)benzoic acid

CAS No.:
500590-51-2
Catalog Number:
AG01A01Q
Molecular Formula:
C10H8F3NO3
Molecular Weight:
247.1706
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Product Description
Catalog Number:
AG01A01Q
Chemical Name:
3-acetamido-5-(trifluoromethyl)benzoic acid
CAS Number:
500590-51-2
Molecular Formula:
C10H8F3NO3
Molecular Weight:
247.1706
MDL Number:
MFCD13475561
IUPAC Name:
3-acetamido-5-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C10H8F3NO3/c1-5(15)14-8-3-6(9(16)17)2-7(4-8)10(11,12)13/h2-4H,1H3,(H,14,15)(H,16,17)
InChI Key:
UEGUKMUUDSGPDJ-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc(cc(c1)C(F)(F)F)C(=O)O
NSC Number:
146029
Properties
Complexity:
316  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.046g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
247.173g/mol
Monoisotopic Mass:
247.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties