Text Search
Structure Search

3-(3-chlorophenyl)-3-phenylpropanoic acid

3-(3-chlorophenyl)-3-phenylpropanoic acid

CAS: 21998-29-8

Formula: C15H13ClO2

SMILES: OC(=O)CC(C1=CC=CC=C1)C1=CC(Cl)=CC=C1

IUPAC: 3-(3-chlorophenyl)-3-phenylpropanoic acid

InChI: InChI=1/C15H13ClO2/c16-13-8-4-7-12(9-13)14(10-15(17)18)11-5-2-1-3-6-11/h1-9,14H,10H2,(H,17,18)

Composition: C (69.10%), H (5.03%), Cl (13.60%), O (12.27%)

Molar Mass: 260.72

Atom Count: 31

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 260.0604074
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey YGWFEBLGVWKAGO-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.41
Topological Polar Surface Area 37.3
Polarizability 27.81
Ring Count 2
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
MATRIX SCIENTIFIC
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 21998-29-8 $269.51$269.51
Request Quote