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(4-fluoronaphthalen-1-yl)acetic acid

(4-fluoronaphthalen-1-yl)acetic acid

CAS: 3833-03-2

Formula: C12H9FO2

SMILES: OC(=O)CC1=C2C=CC=CC2=C(F)C=C1

IUPAC: 2-(4-fluoronaphthalen-1-yl)acetic acid

InChI: InChI=1S/C12H9FO2/c13-11-6-5-8(7-12(14)15)9-3-1-2-4-10(9)11/h1-6H,7H2,(H,14,15)

Composition: C (70.58%), H (4.44%), F (9.30%), O (15.67%)

Molar Mass: 204.2

Atom Count: 24

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 204.058657693
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey GHHUDLBMYDJEGI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.03
Topological Polar Surface Area 37.3
Polarizability 21.67
Ring Count 2
Rotatable Bond Count 2

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