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[2-bromo-5-(trifluoromethoxy)phenyl]acetic acid

[2-bromo-5-(trifluoromethoxy)phenyl]acetic acid

CAS: 887266-81-1

Formula: C9H6BrF3O3

SMILES: OC(=O)CC1=CC(OC(F)(F)F)=CC=C1Br

IUPAC: 2-[2-bromo-5-(trifluoromethoxy)phenyl]acetic acid

InChI: InChI=1S/C9H6BrF3O3/c10-7-2-1-6(16-9(11,12)13)3-5(7)4-8(14)15/h1-3H,4H2,(H,14,15)

Composition: C (36.15%), H (2.02%), Br (26.72%), F (19.06%), O (16.05%)

Molar Mass: 299.043

Atom Count: 22

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 297.945242
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey AGFBPCUCBYAIIT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.06
Topological Polar Surface Area 46.53
Polarizability 19.82
Ring Count 1
Rotatable Bond Count 4

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