5-tert-butyl-1,2,3-trimethylbenzene

5-tert-butyl-1,2,3-trimethylbenzene

CAS: 98-23-7

Formula: C13H20

SMILES: CC1=CC(=CC(C)=C1C)C(C)(C)C

IUPAC: 5-tert-butyl-1,2,3-trimethylbenzene

InChI: InChI=1S/C13H20/c1-9-7-12(13(4,5)6)8-10(2)11(9)3/h7-8H,1-6H3

Composition: C (88.57%), H (11.43%)

Molar Mass: 176.303

Atom Count: 33

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	176.156500644
Formal Charge	0
FSP3	0.54
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	ZQVJKYPEIPJEIP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	59.85
Topological Polar Surface Area	0
Polarizability	22.99
Ring Count	1
Rotatable Bond Count	1

Suppliers

Frinton Laboratories, Inc.

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<10 Days	98-23-7		$49.50-$202.50$49.50$202.50

Low melting solid