methyl 3-chloro-4-methylbenzoate

methyl 3-chloro-4-methylbenzoate

CAS: 56525-63-4

Formula: C9H9ClO2

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

IUPAC: methyl 3-chloro-4-methylbenzoate

InChI: InChI=1S/C9H9ClO2/c1-6-3-4-7(5-8(6)10)9(11)12-2/h3-5H,1-2H3

Composition: C (58.55%), H (4.91%), Cl (19.20%), O (17.33%)

Molar Mass: 184.62

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	184.0291072
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	KTFQDZCNPGFKAH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.93
Topological Polar Surface Area	26.3
Polarizability	18.4
Ring Count	1
Rotatable Bond Count	2

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