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3-CHLORO-5-(4-METHYLPHENYL)ISOTHIAZOLE-4-CARBONITRILE

3-CHLORO-5-(4-METHYLPHENYL)ISOTHIAZOLE-4-CARBONITRILE structure

CAS No:
662138-23-0
Formula:
C11H7ClN2S
Chemical Name:
3-CHLORO-5-(4-METHYLPHENYL)ISOTHIAZOLE-4-CARBONITRILE
Synonyms:
3-CHLORO-5-(4-METHYLPHENYL)ISOTHIAZOLE-4-CARBONITRILE;BUKXYCDRPWTESJ-UHFFFAOYSA-N

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3-CHLORO-5-(4-METHYLPHENYL)ISOTHIAZOLE-4-CARBONITRILE Basic Attributes

Molecular Weight：

234.7

Exact Mass：

234.00200

DSSTox ID：

DTXSID30381354

Characteristics

PSA：

64.9

XLogP3：

3.64358

Density：

1.37g/cm3

Melting Point：

82 °C

Boiling Point：

312.8ºC at 760 mmHg

Flash Point：

143ºC

Refractive Index：

1.641

Computed Properties

Molecular Weight:234.71
XLogP3:3.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:234.0018471
Monoisotopic Mass:234.0018471
Topological Polar Surface Area:64.9
Heavy Atom Count:15
Complexity:267
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-CHLORO-5-(4-METHYLPHENYL)ISOTHIAZOLE-4-CARBONITRILE

Basic Attributes
Characteristics
Computed Properties

3-CHLORO-5-(4-METHYLPHENYL)ISOTHIAZOLE-4-CARBONITRILE

SDS

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