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ethyl 4-chloro-2,6-difluorobenzoate

ethyl 4-chloro-2,6-difluorobenzoate

CAS: 773139-38-1

Formula: C9H7ClF2O2

SMILES: CCOC(=O)C1=C(F)C=C(Cl)C=C1F

IUPAC: ethyl 4-chloro-2,6-difluorobenzoate

InChI: InChI=1S/C9H7ClF2O2/c1-2-14-9(13)8-6(11)3-5(10)4-7(8)12/h3-4H,2H2,1H3

Composition: C (49.00%), H (3.20%), Cl (16.07%), F (17.22%), O (14.51%)

Molar Mass: 220.6

Atom Count: 21

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 220.0102635
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey XYUKGBLOCAJQMA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.07
Topological Polar Surface Area 26.3
Polarizability 18.08
Ring Count 1
Rotatable Bond Count 3

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95% <5 Days 773139-38-1 $76.92-$141.23$76.92$141.23
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