1-(tert-butoxy)-4-(chloromethyl)benzene

1-(tert-butoxy)-4-(chloromethyl)benzene

CAS: 51503-07-2

Formula: C11H15ClO

SMILES: CC(C)(C)OC1=CC=C(CCl)C=C1

IUPAC: 1-(tert-butoxy)-4-(chloromethyl)benzene

InChI: InChI=1S/C11H15ClO/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-7H,8H2,1-3H3

Composition: C (66.50%), H (7.61%), Cl (17.84%), O (8.05%)

Molar Mass: 198.69

Atom Count: 28

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	198.0811428
Formal Charge	0
FSP3	0.45
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	SOOPMPABJXPFML-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.19
Topological Polar Surface Area	9.23
Polarizability	22.02
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	51503-07-2		$2,200.00-$3,850.00$2,200.00$2,970.00$3,850.00