5-chloro-6-propoxypyridin-3-ylboronic acid

5-chloro-6-propoxypyridin-3-ylboronic acid

CAS: 1150114-70-7

Formula: C8H11BClNO3

SMILES: CCCOC1=NC=C(C=C1Cl)B(O)O

IUPAC: (5-chloro-6-propoxypyridin-3-yl)boronic acid

InChI: InChI=1S/C8H11BClNO3/c1-2-3-14-8-7(10)4-6(5-11-8)9(12)13/h4-5,12-13H,2-3H2,1H3

Composition: C (44.60%), H (5.15%), B (5.02%), Cl (16.45%), N (6.50%), O (22.28%)

Molar Mass: 215.44

Atom Count: 25

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	215.052051
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	RJBPIJZCHZZPHC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.3
Topological Polar Surface Area	62.58
Polarizability	20.8
Ring Count	1
Rotatable Bond Count	4

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