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4-isothiocyanatobenzaldehyde

4-isothiocyanatobenzaldehyde structure

CAS No:
16534-85-3
Formula:
C8H5NOS
Chemical Name:
4-isothiocyanatobenzaldehyde
Synonyms:
Benzaldehyde, 4-isothiocyanato-;16534-85-3;4-isothiocyanatobenzaldehyde;SCHEMBL6573410;DTXSID60275737

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4-isothiocyanatobenzaldehyde Basic Attributes

Molecular Weight：

163.20 g/mol

Exact Mass：

163.00918496 g/mol

DSSTox ID：

DTXSID60275737

Characteristics

PSA：

61.5 Å²

Computed Properties

Molecular Weight:163.20
XLogP3:2.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:163.00918496
Monoisotopic Mass:163.00918496
Topological Polar Surface Area:61.5
Heavy Atom Count:11
Complexity:179
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-isothiocyanatobenzaldehyde

Basic Attributes
Characteristics
Computed Properties

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