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3,4-dichloro-2-methylphenylboronic acid

3,4-dichloro-2-methylphenylboronic acid

CAS: 957035-17-5

Formula: C7H7BCl2O2

SMILES: CC1=C(Cl)C(Cl)=CC=C1B(O)O

IUPAC: (3,4-dichloro-2-methylphenyl)boronic acid

InChI: InChI=1S/C7H7BCl2O2/c1-4-5(8(11)12)2-3-6(9)7(4)10/h2-3,11-12H,1H3

Composition: C (41.05%), H (3.44%), B (5.28%), Cl (34.61%), O (15.62%)

Molar Mass: 204.84

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 203.991615
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey FQMLZXAQSIOVFD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.25
Topological Polar Surface Area 40.46
Polarizability 19.13
Ring Count 1
Rotatable Bond Count 1

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