Home Aminos Benzenepropanoic acid, b-amino-2-(trifluoromethyl)-

Benzenepropanoic acid, b-amino-2-(trifluoromethyl)-

CAS No.:
299165-24-5
Catalog Number:
AG00I5JT
Molecular Formula:
C10H10F3NO2
Molecular Weight:
233.1871
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Product Description
Catalog Number:
AG00I5JT
Chemical Name:
Benzenepropanoic acid, b-amino-2-(trifluoromethyl)-
CAS Number:
299165-24-5
Molecular Formula:
C10H10F3NO2
Molecular Weight:
233.1871
MDL Number:
MFCD01250834
IUPAC Name:
3-amino-3-[2-(trifluoromethyl)phenyl]propanoic acid
InChI:
InChI=1S/C10H10F3NO2/c11-10(12,13)7-4-2-1-3-6(7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H,15,16)
InChI Key:
MXKROQQTKYAUJB-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccccc1C(F)(F)F)N
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.066g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
233.19g/mol
Monoisotopic Mass:
233.066g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1  
Properties