4-(chloromethyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole hydrochloride

4-(chloromethyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole hydrochloride

Formula: C13H15Cl2NO2S

SMILES: Cl.CCOC1=C(OC)C=C(C=C1)C1=NC(CCl)=CS1

IUPAC: 4-(chloromethyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole hydrochloride

InChI: InChI=1S/C13H14ClNO2S.ClH/c1-3-17-11-5-4-9(6-12(11)16-2)13-15-10(7-14)8-18-13;/h4-6,8H,3,7H2,1-2H3;1H

Composition: C (48.76%), H (4.72%), Cl (22.14%), N (4.37%), O (9.99%), S (10.01%)

Molar Mass: 320.23

Atom Count: 34

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	319.0200553
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	MXSXWVQMWRTJJK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.39
Topological Polar Surface Area	31.35
Polarizability	28.93
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C13H15Cl2NO2S		Quote Only