Home Other Building Blocks 2-{[2-(trifluoromethyl)phenyl]formamido}acetic acid

2-{[2-(trifluoromethyl)phenyl]formamido}acetic acid

CAS No.:
630117-94-1
Catalog Number:
AG019ZBX
Molecular Formula:
C10H8F3NO3
Molecular Weight:
247.1706
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Product Description
Catalog Number:
AG019ZBX
Chemical Name:
2-{[2-(trifluoromethyl)phenyl]formamido}acetic acid
CAS Number:
630117-94-1
Molecular Formula:
C10H8F3NO3
Molecular Weight:
247.1706
MDL Number:
MFCD09050286
IUPAC Name:
2-[[2-(trifluoromethyl)benzoyl]amino]acetic acid
InChI:
InChI=1S/C10H8F3NO3/c11-10(12,13)7-4-2-1-3-6(7)9(17)14-5-8(15)16/h1-4H,5H2,(H,14,17)(H,15,16)
InChI Key:
ICMKIQQGWGHTGR-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(=O)c1ccccc1C(F)(F)F
Properties
Complexity:
304  
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:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties