ethyl 5-chloro-4-formylthiophene-2-carboxylate

ethyl 5-chloro-4-formylthiophene-2-carboxylate

CAS: 74598-06-4

Formula: C8H7ClO3S

SMILES: CCOC(=O)C1=CC(C=O)=C(Cl)S1

IUPAC: ethyl 5-chloro-4-formylthiophene-2-carboxylate

InChI: InChI=1S/C8H7ClO3S/c1-2-12-8(11)6-3-5(4-10)7(9)13-6/h3-4H,2H2,1H3

Composition: C (43.95%), H (3.23%), Cl (16.21%), O (21.95%), S (14.66%)

Molar Mass: 218.65

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	217.980443
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	GJTHZLGIEUAJIM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.27
Topological Polar Surface Area	43.37
Polarizability	19.28
Ring Count	1
Rotatable Bond Count	4

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