4-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

4-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

CAS: 1072145-24-4

Formula: C13H16BClN2O2

SMILES: CC1(C)OB(OC1(C)C)C1=CN=C2NC=CC2=C1Cl

IUPAC: 4-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

InChI: InChI=1S/C13H16BClN2O2/c1-12(2)13(3,4)19-14(18-12)9-7-17-11-8(10(9)15)5-6-16-11/h5-7H,1-4H3,(H,16,17)

Composition: C (56.06%), H (5.79%), B (3.88%), Cl (12.73%), N (10.06%), O (11.49%)

Molar Mass: 278.54

Atom Count: 35

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	278.099335
Formal Charge	0
FSP3	0.46
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	RCMMVCSRQVWSEX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.4
Topological Polar Surface Area	47.14
Polarizability	29.54
Ring Count	3
Rotatable Bond Count	1

Suppliers

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1072145-24-4		$989.29$989.29