ethyl 3-(3-chlorophenyl)-3-cyano-2-oxopropanoate

ethyl 3-(3-chlorophenyl)-3-cyano-2-oxopropanoate

CAS: 38747-02-3

Formula: C12H10ClNO3

SMILES: CCOC(=O)C(=O)C(C#N)C1=CC=CC(Cl)=C1

IUPAC: ethyl 3-(3-chlorophenyl)-3-cyano-2-oxopropanoate

InChI: InChI=1/C12H10ClNO3/c1-2-17-12(16)11(15)10(7-14)8-4-3-5-9(13)6-8/h3-6,10H,2H2,1H3

Composition: C (57.27%), H (4.01%), Cl (14.09%), N (5.57%), O (19.07%)

Molar Mass: 251.67

Atom Count: 27

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	251.0349209
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	QUFNXWLCJNRBFC-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.31
Topological Polar Surface Area	67.16
Polarizability	23.99
Ring Count	1
Rotatable Bond Count	5

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