Text Search
Structure Search

2-amino-3,4,5-trifluorobenzoic acid

2-amino-3,4,5-trifluorobenzoic acid

CAS: 531529-72-3

Formula: C7H4F3NO2

SMILES: NC1=C(C=C(F)C(F)=C1F)C(O)=O

IUPAC: 2-amino-3,4,5-trifluorobenzoic acid

InChI: InChI=1S/C7H4F3NO2/c8-3-1-2(7(12)13)6(11)5(10)4(3)9/h1H,11H2,(H,12,13)

Composition: C (43.99%), H (2.11%), F (29.82%), N (7.33%), O (16.74%)

Molar Mass: 191.109

Atom Count: 17

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 191.019412862
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey SSLDKXORXLCJBF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 38.66
Topological Polar Surface Area 63.32
Polarizability 13.37
Ring Count 1
Rotatable Bond Count 1

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
J&W PHARMLAB LLC
Supplier Profile
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 531529-72-3 $150.65-$2,748.50$150.65$187.45$258.75$401.35$687.70$2,748.50
Request Quote