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ethyl 3,5-difluoro-2-methoxybenzoate

ethyl 3,5-difluoro-2-methoxybenzoate

CAS: 1008138-31-5

Formula: C10H10F2O3

SMILES: CCOC(=O)C1=C(OC)C(F)=CC(F)=C1

IUPAC: ethyl 3,5-difluoro-2-methoxybenzoate

InChI: InChI=1S/C10H10F2O3/c1-3-15-10(13)7-4-6(11)5-8(12)9(7)14-2/h4-5H,3H2,1-2H3

Composition: C (55.56%), H (4.66%), F (17.58%), O (22.20%)

Molar Mass: 216.184

Atom Count: 25

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 216.059800508
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey TVGOYMZWGSWCAI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.73
Topological Polar Surface Area 35.53
Polarizability 18.65
Ring Count 1
Rotatable Bond Count 4

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95% <5 Days 1008138-31-5 $1,760.00-$3,278.00$1,760.00$3,278.00
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