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8-isothiocyanatooctylbenzene

8-isothiocyanatooctylbenzene structure

CAS No:
157469-20-0
Formula:
C15H21NS
Chemical Name:
8-isothiocyanatooctylbenzene
Synonyms:
8-Phenyloctyl isothiocyanate;157469-20-0;8-isothiocyanatooctylbenzene;CCRIS 7547;(8-Isothiocyanatooctyl)benzene;SCHEMBL17274428;US9963444, Example 3;DTXSID90166265;BDBM393300

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8-isothiocyanatooctylbenzene Basic Attributes

Molecular Weight：

247.4 g/mol

Exact Mass：

247.13947085 g/mol

DSSTox ID：

DTXSID90166265

Characteristics

PSA：

44.4 Å²

XLogP3：

5.81 (LogP)

Computed Properties

Molecular Weight:247.4
XLogP3:6.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:247.13947085
Monoisotopic Mass:247.13947085
Topological Polar Surface Area:44.4
Heavy Atom Count:17
Complexity:215
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-isothiocyanatooctylbenzene

Basic Attributes
Characteristics
Computed Properties

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