2-(2-bromo-4-methoxyphenoxy)acetonitrile

2-(2-bromo-4-methoxyphenoxy)acetonitrile

CAS: 951918-37-9

Formula: C9H8BrNO2

SMILES: COC1=CC=C(OCC#N)C(Br)=C1

IUPAC: 2-(2-bromo-4-methoxyphenoxy)acetonitrile

InChI: InChI=1S/C9H8BrNO2/c1-12-7-2-3-9(8(10)6-7)13-5-4-11/h2-3,6H,5H2,1H3

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	0
InChIKey	PXHPYIIMQBZJKF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.67
Topological Polar Surface Area	42.25
Polarizability	19.96
Ring Count	1
Rotatable Bond Count	3

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