methyl 2-(4-chlorophenyl)-2-oxoacetate

methyl 2-(4-chlorophenyl)-2-oxoacetate

CAS: 37542-28-2

Formula: C9H7ClO3

SMILES: COC(=O)C(=O)C1=CC=C(Cl)C=C1

IUPAC: methyl 2-(4-chlorophenyl)-2-oxoacetate

InChI: InChI=1S/C9H7ClO3/c1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2-5H,1H3

Composition: C (54.43%), H (3.55%), Cl (17.85%), O (24.17%)

Molar Mass: 198.6

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	198.0083718
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XPBYSJXJFOJSBR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.83
Topological Polar Surface Area	43.37
Polarizability	18.61
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	37542-28-2		$16.39-$41.61$16.39$41.61