2-bromo-5-ethoxy-4-hydroxybenzonitrile

2-bromo-5-ethoxy-4-hydroxybenzonitrile

CAS: 832674-70-1

Formula: C9H8BrNO2

SMILES: CCOC1=CC(C#N)=C(Br)C=C1O

IUPAC: 2-bromo-5-ethoxy-4-hydroxybenzonitrile

InChI: InChI=1S/C9H8BrNO2/c1-2-13-9-3-6(5-11)7(10)4-8(9)12/h3-4,12H,2H2,1H3

Composition: C (44.66%), H (3.33%), Br (33.01%), N (5.79%), O (13.22%)

Molar Mass: 242.072

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	240.973842
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	RDPOLCZTDSSEHY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.6
Topological Polar Surface Area	53.25
Polarizability	20.03
Ring Count	1
Rotatable Bond Count	2

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