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2-chloro-4-methyl-1-(trifluoromethyl)benzene

2-chloro-4-methyl-1-(trifluoromethyl)benzene

CAS: 74483-46-8

Formula: C8H6ClF3

SMILES: CC1=CC=C(C(Cl)=C1)C(F)(F)F

IUPAC: 2-chloro-4-methyl-1-(trifluoromethyl)benzene

InChI: InChI=1S/C8H6ClF3/c1-5-2-3-6(7(9)4-5)8(10,11)12/h2-4H,1H3

Composition: C (49.38%), H (3.11%), Cl (18.22%), F (29.29%)

Molar Mass: 194.58

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 194.0110124
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey OHDYNLHQHOFWGR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.88
Topological Polar Surface Area 0
Polarizability 15.21
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 74483-46-8 $12.65-$394.45$12.65$29.90$55.20$101.20$394.45
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97% <7 Days 74483-46-8 $18.63-$649.98$18.63$40.37$77.63$167.67$649.98
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