Text Search
Structure Search

2-amino-3-[4-(trifluoromethoxy)phenyl]propanoic acid

2-amino-3-[4-(trifluoromethoxy)phenyl]propanoic acid

CAS: 174732-57-1

Formula: C10H10F3NO3

SMILES: NC(CC1=CC=C(OC(F)(F)F)C=C1)C(O)=O

IUPAC: 2-amino-3-[4-(trifluoromethoxy)phenyl]propanoic acid

InChI: InChI=1/C10H10F3NO3/c11-10(12,13)17-7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)

Composition: C (48.20%), H (4.05%), F (22.87%), N (5.62%), O (19.26%)

Molar Mass: 249.189

Atom Count: 27

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 249.061277675
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey YZXUCQCJZKJMIR-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.19
Topological Polar Surface Area 72.55
Polarizability 19.92
Ring Count 1
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Kinentia Biosciences LLC
Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 174732-57-1 $94.50-$708.75$94.50$708.75
Request Quote