1-(4-tert-butylphenyl)-4-chlorobutan-1-one

1-(4-tert-butylphenyl)-4-chlorobutan-1-one

CAS: 43076-61-5

Formula: C14H19ClO

SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)CCCCl

IUPAC: 1-(4-tert-butylphenyl)-4-chlorobutan-1-one

InChI: InChI=1S/C14H19ClO/c1-14(2,3)12-8-6-11(7-9-12)13(16)5-4-10-15/h6-9H,4-5,10H2,1-3H3

Composition: C (70.43%), H (8.02%), Cl (14.85%), O (6.70%)

Molar Mass: 238.76

Atom Count: 35

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	238.1124429
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	RLKSQLJFGCDUOX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.33
Topological Polar Surface Area	17.07
Polarizability	26.85
Ring Count	1
Rotatable Bond Count	5

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