[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol

[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol

CAS: 1485110-17-5

Formula: C13H18BClO3

SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(CO)C=C1Cl

IUPAC: [3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol

InChI: InChI=1S/C13H18BClO3/c1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-16)7-11(10)15/h5-7,16H,8H2,1-4H3

Composition: C (58.14%), H (6.76%), B (4.03%), Cl (13.20%), O (17.87%)

Molar Mass: 268.54

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	268.103752
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	AAZKVONTUGPEJQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.33
Topological Polar Surface Area	38.69
Polarizability	28.34
Ring Count	2
Rotatable Bond Count	2

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