4-amino-2-chloro-5-fluorobenzoic acid

4-amino-2-chloro-5-fluorobenzoic acid

Formula: C7H5ClFNO2

SMILES: NC1=CC(Cl)=C(C=C1F)C(O)=O

IUPAC: 4-amino-2-chloro-5-fluorobenzoic acid

InChI: InChI=1S/C7H5ClFNO2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,10H2,(H,11,12)

Composition: C (44.35%), H (2.66%), Cl (18.70%), F (10.02%), N (7.39%), O (16.88%)

Molar Mass: 189.57

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	188.9992843
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	NXROAANODXBIQM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.04
Topological Polar Surface Area	63.32
Polarizability	15.58
Ring Count	1
Rotatable Bond Count	1

Suppliers

Chemcia Scientific, LLC

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<2 Days	C7H5ClFNO2		$414.00-$914.25$414.00$644.00$914.25