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CAS Number: 27387-23-1
2-(2-bromo-5-methoxyphenyl)acetonitrile

Structure

2-(2-bromo-5-methoxyphenyl)acetonitrile
Name: 2-(2-bromo-5-methoxyphenyl)acetonitrile
Synonyms:
General Information
Product Number: 27387231

CAS Registry Number 27387-23-1
Name:
Benzeneacetonitrile, 2-​bromo-​5-​methoxy-
Acetonitrile, (2-bromo-5-methoxyphenyl)- (8CI)
(2-Bromo-5-methoxyphenyl)acetonitrile
(5-Methoxy-2-bromophenyl)acetonitrile

 

Chemical Formula: C9H8BrNO
Exact Mass: 224.98
Molecular Weight: 226.07
m/z: 224.98 (100.0%), 226.98 (97.5%), 225.98 (10.1%), 227.98 (9.6%)

 

InChI:InChI=1S/C9H8BrNO/c1-12-8-2-3-9(10)7(6-8)4-5-11/h2-3,6H,4H2,1H3

InChI Key:VSSZEBGUCILFSV-UHFFFAOYSA-N

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

Specification

98%

References

PCT Int. Appl. (2009), WO 2009102893 A2 20090820.                                 

Journal of Organic Chemistry (2015), 80(5), 2884-2892.

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