Text Search
Structure Search

5-cyano-2-(trifluoromethyl)benzoic acid

5-cyano-2-(trifluoromethyl)benzoic acid

CAS: 1227507-92-7

Formula: C9H4F3NO2

SMILES: OC(=O)C1=C(C=CC(=C1)C#N)C(F)(F)F

IUPAC: 5-cyano-2-(trifluoromethyl)benzoic acid

InChI: InChI=1S/C9H4F3NO2/c10-9(11,12)7-2-1-5(4-13)3-6(7)8(14)15/h1-3H,(H,14,15)

Composition: C (50.25%), H (1.87%), F (26.49%), N (6.51%), O (14.87%)

Molar Mass: 215.131

Atom Count: 19

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 215.019412862
Formal Charge 0
FSP3 0.11
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JPUAZDLMZIKSNE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.01
Topological Polar Surface Area 61.09
Polarizability 15.9
Ring Count 1
Rotatable Bond Count 2

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime CAS UnitPrice
98% <10 Days 1227507-92-7 Quote Only
Request Quote
Struchem co.,ltd
Supplier Profile
Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1227507-92-7 $1,570.00$1,570.00
Request Quote