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2,5-Dichloro-3,4-thiophenediacetonitrile

2,5-Dichloro-3,4-thiophenediacetonitrile structure

CAS No:
35147-98-9
Formula:
C8H4Cl2N2S
Chemical Name:
2,5-Dichloro-3,4-thiophenediacetonitrile
Synonyms:
3,4-Thiophenediacetonitrile,2,5-dichloro-;2,5-Dichloro-3,4-thiophenediacetonitrile;NSC 241112;2-[2,5-Dichloro-4-(cyanomethyl)thiophen-3-yl]acetonitrile

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2,5-Dichloro-3,4-thiophenediacetonitrile Basic Attributes

Molecular Weight：

231.10200

Exact Mass：

231.10

NSC Number：

241112

DSSTox ID：

DTXSID00311300

Characteristics

PSA：

75.82000

XLogP3：

3.18706

Density：

1.488g/cm3

Boiling Point：

369.6ºC at 760mmHg

Flash Point：

177.3ºC

Refractive Index：

1.603

Computed Properties

Molecular Weight:231.10
XLogP3:2.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:229.9472247
Monoisotopic Mass:229.9472247
Topological Polar Surface Area:75.8
Heavy Atom Count:13
Complexity:248
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,5-Dichloro-3,4-thiophenediacetonitrile

Basic Attributes
Characteristics
Computed Properties

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