6-bromo-2-fluoro-3-propoxyphenylboronic acid

6-bromo-2-fluoro-3-propoxyphenylboronic acid

CAS: 1072951-85-9

Formula: C9H11BBrFO3

SMILES: CCCOC1=CC=C(Br)C(B(O)O)=C1F

IUPAC: (6-bromo-2-fluoro-3-propoxyphenyl)boronic acid

InChI: InChI=1S/C9H11BBrFO3/c1-2-5-15-7-4-3-6(11)8(9(7)12)10(13)14/h3-4,13-14H,2,5H2,1H3

Composition: C (39.04%), H (4.00%), B (3.90%), Br (28.86%), F (6.86%), O (17.33%)

Molar Mass: 276.9

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	275.996865
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	NRFJKFUWHJKBRV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.18
Topological Polar Surface Area	49.69
Polarizability	22.4
Ring Count	1
Rotatable Bond Count	4

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