1-(chloromethyl)-3-methoxy-2-(trifluoromethyl)benzene

1-(chloromethyl)-3-methoxy-2-(trifluoromethyl)benzene

CAS: 1261614-03-2

Formula: C9H8ClF3O

SMILES: COC1=CC=CC(CCl)=C1C(F)(F)F

IUPAC: 1-(chloromethyl)-3-methoxy-2-(trifluoromethyl)benzene

InChI: InChI=1S/C9H8ClF3O/c1-14-7-4-2-3-6(5-10)8(7)9(11,12)13/h2-4H,5H2,1H3

Composition: C (48.13%), H (3.59%), Cl (15.78%), F (25.38%), O (7.12%)

Molar Mass: 224.61

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	224.0215771
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	MZTJHWKWCSIFMX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.36
Topological Polar Surface Area	9.23
Polarizability	17.78
Ring Count	1
Rotatable Bond Count	3

Suppliers

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1261614-03-2		$1,460.00-$4,224.00$1,460.00$2,640.00$4,224.00