5-chloro-2-methylphenylboronic acid

5-chloro-2-methylphenylboronic acid

CAS: 148839-33-2

Formula: C7H8BClO2

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

IUPAC: (5-chloro-2-methylphenyl)boronic acid

InChI: InChI=1S/C7H8BClO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,10-11H,1H3

Composition: C (49.34%), H (4.73%), B (6.34%), Cl (20.80%), O (18.78%)

Molar Mass: 170.4

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	170.030587
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	QWTHTSAWMJFMOV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.45
Topological Polar Surface Area	40.46
Polarizability	17.17
Ring Count	1
Rotatable Bond Count	1

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