5-amino-2-ethoxybenzoic acid hydrochloride

5-amino-2-ethoxybenzoic acid hydrochloride

CAS: 1269053-30-6

Formula: C9H12ClNO3

SMILES: Cl.CCOC1=C(C=C(N)C=C1)C(O)=O

IUPAC: 5-amino-2-ethoxybenzoic acid hydrochloride

InChI: InChI=1S/C9H11NO3.ClH/c1-2-13-8-4-3-6(10)5-7(8)9(11)12;/h3-5H,2,10H2,1H3,(H,11,12);1H

Composition: C (49.67%), H (5.56%), Cl (16.29%), N (6.44%), O (22.05%)

Molar Mass: 217.65

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	217.050571
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	AKWRKCUJLCVFNI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.23
Topological Polar Surface Area	72.55
Polarizability	18.19
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<4 Days	1269053-30-6		$215.05-$1,973.40$215.05$708.40$1,973.40