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6-bromo-2,3,4-trifluorobenzoic acid

6-bromo-2,3,4-trifluorobenzoic acid

CAS: 530145-53-0

Formula: C7H2BrF3O2

SMILES: OC(=O)C1=C(Br)C=C(F)C(F)=C1F

IUPAC: 6-bromo-2,3,4-trifluorobenzoic acid

InChI: InChI=1S/C7H2BrF3O2/c8-2-1-3(9)5(10)6(11)4(2)7(12)13/h1H,(H,12,13)

Composition: C (32.97%), H (0.79%), Br (31.34%), F (22.35%), O (12.55%)

Molar Mass: 254.99

Atom Count: 15

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 253.919027
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey QCQROIXPDIHMBR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.59
Topological Polar Surface Area 37.3
Polarizability 15.43
Ring Count 1
Rotatable Bond Count 1

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95% <5 Days 530145-53-0 $346.78-$823.43$346.78$823.43
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