2-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-ylboronic acid

2-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-ylboronic acid

CAS: 2408430-41-9

Formula: C6H5BClN3O2

SMILES: OB(O)C1=CC2=CN=C(Cl)N=C2N1

IUPAC: {2-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl}boronic acid

InChI: InChI=1S/C6H5BClN3O2/c8-6-9-2-3-1-4(7(12)13)10-5(3)11-6/h1-2,12-13H,(H,9,10,11)

Composition: C (36.51%), H (2.55%), B (5.48%), Cl (17.96%), N (21.29%), O (16.21%)

Molar Mass: 197.39

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	197.016334
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	INRCEJSVUYVXSC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.06
Topological Polar Surface Area	82.03
Polarizability	18.36
Ring Count	2
Rotatable Bond Count	1

Suppliers

J&W PHARMLAB LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<2 Days	2408430-41-9		$631.35-$7,912.00$631.35$1,147.70$2,162.00$7,912.00