2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

CAS: 890839-31-3

Formula: C13H16BClO4

SMILES: CC1(C)OB(OC1(C)C)C1=CC(Cl)=C(C=C1)C(O)=O

IUPAC: 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

InChI: InChI=1S/C13H16BClO4/c1-12(2)13(3,4)19-14(18-12)8-5-6-9(11(16)17)10(15)7-8/h5-7H,1-4H3,(H,16,17)

Composition: C (55.27%), H (5.71%), B (3.83%), Cl (12.55%), O (22.65%)

Molar Mass: 282.53

Atom Count: 35

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	282.083017
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	MFHUTQFPFZUQCI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.77
Topological Polar Surface Area	55.76
Polarizability	28.25
Ring Count	2
Rotatable Bond Count	2

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