Text Search
Structure Search

[4'-(ethylcarbamoyl)-3'-fluoro-[1,1'-biphenyl]-3-yl]acetic acid

[4'-(ethylcarbamoyl)-3'-fluoro-[1,1'-biphenyl]-3-yl]acetic acid

CAS: 1375069-31-0

Formula: C17H16FNO3

SMILES: CCNC(=O)C1=CC=C(C=C1F)C1=CC=CC(CC(O)=O)=C1

IUPAC: 2-[4'-(ethylcarbamoyl)-3'-fluoro-[1,1'-biphenyl]-3-yl]acetic acid

InChI: InChI=1S/C17H16FNO3/c1-2-19-17(22)14-7-6-13(10-15(14)18)12-5-3-4-11(8-12)9-16(20)21/h3-8,10H,2,9H2,1H3,(H,19,22)(H,20,21)

Composition: C (67.76%), H (5.35%), F (6.31%), N (4.65%), O (15.93%)

Molar Mass: 301.317

Atom Count: 38

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 301.111421542
Formal Charge 0
FSP3 0.18
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey YKGMKTLRMXMEOM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.44
Topological Polar Surface Area 66.4
Polarizability 31.63
Ring Count 2
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 1375069-31-0 $409.40-$1,713.50$409.40$1,061.45$1,713.50
Request Quote