methyl 4-(bromomethyl)-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

methyl 4-(bromomethyl)-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Formula: C15H19BBrFO4

SMILES: COC(=O)C1=C(F)C(B2OC(C)(C)C(C)(C)O2)=C(CBr)C=C1

IUPAC: methyl 4-(bromomethyl)-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

InChI: InChI=1S/C15H19BBrFO4/c1-14(2)15(3,4)22-16(21-14)11-9(8-17)6-7-10(12(11)18)13(19)20-5/h6-7H,8H2,1-5H3

Composition: C (48.30%), H (5.13%), B (2.90%), Br (21.42%), F (5.09%), O (17.16%)

Molar Mass: 373.03

Atom Count: 41

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	372.05438
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	DOXPQLJNRAGZQH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.81
Topological Polar Surface Area	44.76
Polarizability	32.75
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C15H19BBrFO4		Quote Only