3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

CAS: 631911-09-6

Formula: C14H20BNO3

SMILES: CC1=C(C=CC(=C1)C(N)=O)B1OC(C)(C)C(C)(C)O1

IUPAC: 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

InChI: InChI=1S/C14H20BNO3/c1-9-8-10(12(16)17)6-7-11(9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3,(H2,16,17)

Composition: C (64.40%), H (7.72%), B (4.14%), N (5.36%), O (18.38%)

Molar Mass: 261.13

Atom Count: 39

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	261.153624
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	APCPHCRRFATAOY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.83
Topological Polar Surface Area	61.55
Polarizability	28.59
Ring Count	2
Rotatable Bond Count	2

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