Text Search
Structure Search

2-(4,7-dibromo-3-methoxynaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(4,7-dibromo-3-methoxynaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Formula: C17H19BBr2O3

SMILES: COC1=C(Br)C2=CC=C(Br)C=C2C(=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: 2-(4,7-dibromo-3-methoxynaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChI: InChI=1S/C17H19BBr2O3/c1-16(2)17(3,4)23-18(22-16)13-9-14(21-5)15(20)11-7-6-10(19)8-12(11)13/h6-9H,1-5H3

Composition: C (46.20%), H (4.33%), B (2.45%), Br (36.16%), O (10.86%)

Molar Mass: 441.95

Atom Count: 42

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 439.9794
Formal Charge 0
FSP3 0.41
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey MLPVZVNEHBXYAV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 93.87
Topological Polar Surface Area 27.69
Polarizability 39.53
Ring Count 3
Rotatable Bond Count 2

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C17H19BBr2O3 Quote Only