methyl 4-(trichloromethyl)benzoate

methyl 4-(trichloromethyl)benzoate

CAS: 14815-87-3

Formula: C9H7Cl3O2

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

IUPAC: methyl 4-(trichloromethyl)benzoate

InChI: InChI=1S/C9H7Cl3O2/c1-14-8(13)6-2-4-7(5-3-6)9(10,11)12/h2-5H,1H3

Composition: C (42.64%), H (2.78%), Cl (41.95%), O (12.62%)

Molar Mass: 253.5

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	251.9511626
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	PWFPDRYHJFGZDV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.56
Topological Polar Surface Area	26.3
Polarizability	22.24
Ring Count	1
Rotatable Bond Count	3

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