2-oxo-2-[3-(trifluoromethyl)phenyl]acetaldehyde hydrate

2-oxo-2-[3-(trifluoromethyl)phenyl]acetaldehyde hydrate

Formula: C9H7F3O3

SMILES: O.FC(F)(F)C1=CC=CC(=C1)C(=O)C=O

IUPAC: 2-oxo-2-[3-(trifluoromethyl)phenyl]acetaldehyde hydrate

InChI: InChI=1S/C9H5F3O2.H2O/c10-9(11,12)7-3-1-2-6(4-7)8(14)5-13;/h1-5H;1H2

Composition: C (49.10%), H (3.21%), F (25.89%), O (21.80%)

Molar Mass: 220.147

Atom Count: 22

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	220.034728574
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KJAPVMHDWONIME-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.29
Topological Polar Surface Area	34.14
Polarizability	15.45
Ring Count	1
Rotatable Bond Count	3

Suppliers

Kinentia Biosciences LLC

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<14 Days	C9H7F3O3		$487.62$487.62