2-fluoro-3-iodo-4-methylbenzoic acid

2-fluoro-3-iodo-4-methylbenzoic acid

CAS: 882679-89-2

Formula: C8H6FIO2

SMILES: CC1=C(I)C(F)=C(C=C1)C(O)=O

IUPAC: 2-fluoro-3-iodo-4-methylbenzoic acid

InChI: InChI=1S/C8H6FIO2/c1-4-2-3-5(8(11)12)6(9)7(4)10/h2-3H,1H3,(H,11,12)

Composition: C (34.31%), H (2.16%), F (6.78%), I (45.32%), O (11.43%)

Molar Mass: 280.037

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	279.93965
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PAAKRIQUPXJQIW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.93
Topological Polar Surface Area	37.3
Polarizability	19.6
Ring Count	1
Rotatable Bond Count	1

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	882679-89-2		$336.49-$475.24$336.49$336.49$475.24$475.24

LabNetwork INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	1 Day	882679-89-2		$69.85-$762.05$69.85$127.01$254.02$762.05