4-[2-bromo-5-(trifluoromethoxy)phenyl]-2-methylbut-3-yn-2-ol

4-[2-bromo-5-(trifluoromethoxy)phenyl]-2-methylbut-3-yn-2-ol

CAS: 1187385-74-5

Formula: C12H10BrF3O2

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

IUPAC: 4-[2-bromo-5-(trifluoromethoxy)phenyl]-2-methylbut-3-yn-2-ol

InChI: InChI=1S/C12H10BrF3O2/c1-11(2,17)6-5-8-7-9(3-4-10(8)13)18-12(14,15)16/h3-4,7,17H,1-2H3

Composition: C (44.61%), H (3.12%), Br (24.73%), F (17.64%), O (9.90%)

Molar Mass: 323.109

Atom Count: 28

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	321.981627
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ZEYGQWWUQMQARO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.26
Topological Polar Surface Area	29.46
Polarizability	24
Ring Count	1
Rotatable Bond Count	4

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