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4-bromo-3-methylphenylboronic acid

4-bromo-3-methylphenylboronic acid

CAS: 221006-67-3

Formula: C7H8BBrO2

SMILES: CC1=CC(=CC=C1Br)B(O)O

IUPAC: (4-bromo-3-methylphenyl)boronic acid

InChI: InChI=1S/C7H8BBrO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,10-11H,1H3

Composition: C (39.13%), H (3.75%), B (5.03%), Br (37.19%), O (14.89%)

Molar Mass: 214.85

Atom Count: 19

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 213.980072
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey WATLRNVCMDWRNM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.27
Topological Polar Surface Area 40.46
Polarizability 18.12
Ring Count 1
Rotatable Bond Count 1

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