2-(bromomethyl)-3,4,5-trichlorophenylboronic acid

2-(bromomethyl)-3,4,5-trichlorophenylboronic acid

CAS: 1072946-53-2

Formula: C7H5BBrCl3O2

SMILES: OB(O)C1=C(CBr)C(Cl)=C(Cl)C(Cl)=C1

IUPAC: [2-(bromomethyl)-3,4,5-trichlorophenyl]boronic acid

InChI: InChI=1S/C7H5BBrCl3O2/c9-2-3-4(8(13)14)1-5(10)7(12)6(3)11/h1,13-14H,2H2

Composition: C (26.42%), H (1.58%), B (3.40%), Br (25.11%), Cl (33.42%), O (10.06%)

Molar Mass: 318.18

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	315.863156
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	YFKTUNRHMJFFRC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.87
Topological Polar Surface Area	40.46
Polarizability	24.12
Ring Count	1
Rotatable Bond Count	2

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