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2-[(1E)-3-chloroprop-1-en-1-yl]-1,4-difluorobenzene

2-[(1E)-3-chloroprop-1-en-1-yl]-1,4-difluorobenzene

CAS: 149946-42-9

Formula: C9H7ClF2

SMILES: FC1=CC=C(F)C(C=CCCl)=C1

IUPAC: 2-[(1E)-3-chloroprop-1-en-1-yl]-1,4-difluorobenzene

InChI: InChI=1S/C9H7ClF2/c10-5-1-2-7-6-8(11)3-4-9(7)12/h1-4,6H,5H2/b2-1+

Composition: C (57.32%), H (3.74%), Cl (18.80%), F (20.15%)

Molar Mass: 188.6

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 188.0204343
Formal Charge 0
FSP3 0.11
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey BQORONBSXKWTEZ-OWOJBTEDSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.68
Topological Polar Surface Area 0
Polarizability 16.84
Ring Count 1
Rotatable Bond Count 2

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Purity (%)
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Days
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Purity LeadTime CAS PacketSize UnitPrice
96% <6 Days 149946-42-9 $207.00-$1,932.00$207.00$350.75$667.00$1,932.00
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