3,4,5-triethoxybenzoyl chloride

3,4,5-triethoxybenzoyl chloride

CAS: 50915-97-4

Formula: C13H17ClO4

SMILES: CCOC1=CC(=CC(OCC)=C1OCC)C(Cl)=O

IUPAC: 3,4,5-triethoxybenzoyl chloride

InChI: InChI=1S/C13H17ClO4/c1-4-16-10-7-9(13(14)15)8-11(17-5-2)12(10)18-6-3/h7-8H,4-6H2,1-3H3

Composition: C (57.25%), H (6.28%), Cl (13.00%), O (23.47%)

Molar Mass: 272.73

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	272.0815367
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	JUICNMLFNLOFMZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.81
Topological Polar Surface Area	44.76
Polarizability	27.2
Ring Count	1
Rotatable Bond Count	7

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