4-chloro-5-hydroxy-2-methylbenzonitrile

4-chloro-5-hydroxy-2-methylbenzonitrile

Formula: C8H6ClNO

SMILES: CC1=CC(Cl)=C(O)C=C1C#N

IUPAC: 4-chloro-5-hydroxy-2-methylbenzonitrile

InChI: InChI=1S/C8H6ClNO/c1-5-2-7(9)8(11)3-6(5)4-10/h2-3,11H,1H3

Composition: C (57.33%), H (3.61%), Cl (21.15%), N (8.36%), O (9.55%)

Molar Mass: 167.59

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	167.0137915
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	LYLKRRSRVCCNAR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.61
Topological Polar Surface Area	44.02
Polarizability	16.43
Ring Count	1
Rotatable Bond Count	0

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C8H6ClNO		Quote Only