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

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

CAS: 1072152-50-1

Formula: C13H16BBrN2O2

SMILES: CC1(C)OB(OC1(C)C)C1=CNC2=NC=C(Br)C=C12

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

InChI: InChI=1S/C13H16BBrN2O2/c1-12(2)13(3,4)19-14(18-12)10-7-17-11-9(10)5-8(15)6-16-11/h5-7H,1-4H3,(H,16,17)

Composition: C (48.34%), H (4.99%), B (3.35%), Br (24.74%), N (8.67%), O (9.91%)

Molar Mass: 323

Atom Count: 35

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	322.048821
Formal Charge	0
FSP3	0.46
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HBAJAQXOPJTWPI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.22
Topological Polar Surface Area	47.14
Polarizability	30.4
Ring Count	3
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1072152-50-1		$253.46-$3,129.80$253.46$406.04$697.33$1,044.11$3,129.80