4-amino-5-chloro-2-methylbenzoic acid

4-amino-5-chloro-2-methylbenzoic acid

Formula: C8H8ClNO2

SMILES: CC1=C(C=C(Cl)C(N)=C1)C(O)=O

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

InChI: InChI=1S/C8H8ClNO2/c1-4-2-7(10)6(9)3-5(4)8(11)12/h2-3H,10H2,1H3,(H,11,12)

Composition: C (51.77%), H (4.34%), Cl (19.10%), N (7.55%), O (17.24%)

Molar Mass: 185.61

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	185.0243562
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	CTIIKCLOFDWONZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.86
Topological Polar Surface Area	63.32
Polarizability	17.49
Ring Count	1
Rotatable Bond Count	1

Suppliers

Chemcia Scientific, LLC

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
97%	<2 Days	C8H8ClNO2		$402.50$402.50