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6-bromo-3-methoxy-2-methylbenzonitrile

6-bromo-3-methoxy-2-methylbenzonitrile

CAS: 1420537-63-8

Formula: C9H8BrNO

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

IUPAC: 6-bromo-3-methoxy-2-methylbenzonitrile

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

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 RALOTEFFPYWJCT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.91
Topological Polar Surface Area 33.02
Polarizability 19.27
Ring Count 1
Rotatable Bond Count 1

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97% <2 Days 1420537-63-8 $51.35-$359.43$51.35$63.37$86.31$225.06$359.43
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