2,5-dibromo-4-methoxyphenylboronic acid

2,5-dibromo-4-methoxyphenylboronic acid

CAS: 1217501-37-5

Formula: C7H7BBr2O3

SMILES: COC1=CC(Br)=C(C=C1Br)B(O)O

IUPAC: (2,5-dibromo-4-methoxyphenyl)boronic acid

InChI: InChI=1S/C7H7BBr2O3/c1-13-7-3-5(9)4(8(11)12)2-6(7)10/h2-3,11-12H,1H3

Composition: C (27.14%), H (2.28%), B (3.49%), Br (51.59%), O (15.50%)

Molar Mass: 309.75

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	307.8855
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	FCCYYRNIKBYUQR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.31
Topological Polar Surface Area	49.69
Polarizability	22.04
Ring Count	1
Rotatable Bond Count	2

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