5-bromo-2-ethoxybenzonitrile

5-bromo-2-ethoxybenzonitrile

CAS: 279263-03-5

Formula: C9H8BrNO

SMILES: CCOC1=C(C=C(Br)C=C1)C#N

IUPAC: 5-bromo-2-ethoxybenzonitrile

InChI: InChI=1S/C9H8BrNO/c1-2-12-9-4-3-8(10)5-7(9)6-11/h3-5H,2H2,1H3

Composition: C (47.82%), H (3.57%), Br (35.34%), N (6.20%), O (7.08%)

Molar Mass: 226.073

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	224.978927
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	RNRDIQJUDTUNEN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.61
Topological Polar Surface Area	33.02
Polarizability	19.33
Ring Count	1
Rotatable Bond Count	2

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