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

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

CAS: 1352413-06-9

Formula: C15H18BNO4

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

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

InChI: InChI=1S/C15H18BNO4/c1-14(2)15(3,4)21-16(20-14)12-7-10(9-17)6-11(8-12)13(18)19-5/h6-8H,1-5H3

Composition: C (62.75%), H (6.32%), B (3.76%), N (4.88%), O (22.29%)

Molar Mass: 287.12

Atom Count: 39

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	287.132888
Formal Charge	0
FSP3	0.47
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	ZZJCILVEJIMZHG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.46
Topological Polar Surface Area	68.55
Polarizability	30.26
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	1352413-06-9		$210.38-$631.13$210.38$631.13

Molecule Market Select

Purity	LeadTime	CAS		UnitPrice
98%	<10 Days	1352413-06-9		Quote Only

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	1352413-06-9		$40.35-$640.59$40.35$65.57$179.06$640.59