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2-(4-bromo-3,5-dimethylphenoxy)acetonitrile

2-(4-bromo-3,5-dimethylphenoxy)acetonitrile

CAS: 951918-29-9

Formula: C10H10BrNO

SMILES: CC1=CC(OCC#N)=CC(C)=C1Br

IUPAC: 2-(4-bromo-3,5-dimethylphenoxy)acetonitrile

InChI: InChI=1S/C10H10BrNO/c1-7-5-9(13-4-3-12)6-8(2)10(7)11/h5-6H,4H2,1-2H3

Composition: C (50.02%), H (4.20%), Br (33.28%), N (5.83%), O (6.66%)

Molar Mass: 240.1

Atom Count: 23

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 238.994577
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey ODEGONCELYZGPA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.29
Topological Polar Surface Area 33.02
Polarizability 20.87
Ring Count 1
Rotatable Bond Count 2

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