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[4-(difluoromethoxy)-3-fluorophenyl]acetic acid

[4-(difluoromethoxy)-3-fluorophenyl]acetic acid

CAS: 1261851-55-1

Formula: C9H7F3O3

SMILES: OC(=O)CC1=CC(F)=C(OC(F)F)C=C1

IUPAC: 2-[4-(difluoromethoxy)-3-fluorophenyl]acetic acid

InChI: InChI=1S/C9H7F3O3/c10-6-3-5(4-8(13)14)1-2-7(6)15-9(11)12/h1-3,9H,4H2,(H,13,14)

Composition: C (49.10%), H (3.21%), F (25.89%), O (21.80%)

Molar Mass: 220.147

Atom Count: 22

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 220.034728574
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey VHFMSYGWFHDRBD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.05
Topological Polar Surface Area 46.53
Polarizability 16.59
Ring Count 1
Rotatable Bond Count 4

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