2,3-dibromo-5-ethoxy-4-hydroxybenzonitrile

2,3-dibromo-5-ethoxy-4-hydroxybenzonitrile

CAS: 330462-59-4

Formula: C9H7Br2NO2

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

IUPAC: 2,3-dibromo-5-ethoxy-4-hydroxybenzonitrile

InChI: InChI=1S/C9H7Br2NO2/c1-2-14-6-3-5(4-12)7(10)8(11)9(6)13/h3,13H,2H2,1H3

Composition: C (33.68%), H (2.20%), Br (49.79%), N (4.36%), O (9.97%)

Molar Mass: 320.968

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	318.884354
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MFOYUMYOZXEHIH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.22
Topological Polar Surface Area	53.25
Polarizability	23.12
Ring Count	1
Rotatable Bond Count	2

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