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2-(chloromethyl)-4-fluoro-1-methylbenzene

2-(chloromethyl)-4-fluoro-1-methylbenzene

CAS: 22062-55-1

Formula: C8H8ClF

SMILES: CC1=CC=C(F)C=C1CCl

IUPAC: 2-(chloromethyl)-4-fluoro-1-methylbenzene

InChI: InChI=1S/C8H8ClF/c1-6-2-3-8(10)4-7(6)5-9/h2-4H,5H2,1H3

Composition: C (60.58%), H (5.08%), Cl (22.35%), F (11.98%)

Molar Mass: 158.6

Atom Count: 18

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 158.0298561
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey MTKSHHODKOMICW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.18
Topological Polar Surface Area 0
Polarizability 15.43
Ring Count 1
Rotatable Bond Count 1

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99% <6 Days 22062-55-1 $31.05-$359.95$31.05$106.95$359.95
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99% <7 Days 22062-55-1 $21.74-$230.81$21.74$69.35$230.81
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