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Structure

2-Chloro-3,4-dimethoxybenzonitrile

CAS
119413-61-5
Catalog Number
ACM119413615
Category
Other Products
Molecular Weight
197.62
Molecular Formula
C9 H8 Cl N O2

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Specification

Synonyms
ZINC00157272, CID2775136, ST5407138, 119413-61-5
IUPAC Name
2-chloro-3,4-dimethoxybenzonitrile
Canonical SMILES
COC1=C(C(=C(C=C1)C#N)Cl)OC
InChI Key
DVVLTABTKVOGCS-UHFFFAOYSA-N
Boiling Point
306.5ºC at 760 mmHg
Melting Point
101ºC
Flash Point
139.2ºC
Density
1.26 g/cm³
Exact Mass
197.02400
H-Bond Acceptor
3
H-Bond Donor
0
Packing Group
III
Safety Description
26-36/37/39
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