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2-(3,4-difluorophenyl)acetyl chloride

2-(3,4-difluorophenyl)acetyl chloride

CAS: 121639-61-0

Formula: C8H5ClF2O

SMILES: FC1=C(F)C=C(CC(Cl)=O)C=C1

IUPAC: 2-(3,4-difluorophenyl)acetyl chloride

InChI: InChI=1S/C8H5ClF2O/c9-8(12)4-5-1-2-6(10)7(11)3-5/h1-3H,4H2

Composition: C (50.42%), H (2.64%), Cl (18.60%), F (19.94%), O (8.40%)

Molar Mass: 190.57

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 189.9996988
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey NHXZDVXZDDNPFM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.66
Topological Polar Surface Area 17.07
Polarizability 15.5
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 121639-61-0 $149.04-$2,455.02$149.04$233.91$732.78$2,455.02
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95% <5 Days 121639-61-0 $1,760.00-$3,080.00$1,760.00$2,420.00$3,080.00
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