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

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

CAS: 1111638-73-3

Formula: C13H16BClN2O2

SMILES: CC1(C)OB(OC1(C)C)C1=CN=C2NC=C(Cl)C2=C1

IUPAC: 3-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)8-5-9-10(15)7-17-11(9)16-6-8/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 BPAAWYLOFQTVPA-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

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