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[2-(4-bromophenyl)-2-oxoethyl] thiocyanate

[2-(4-bromophenyl)-2-oxoethyl] thiocyanate structure

CAS No:
65679-14-3
Formula:
C9H6BrNOS
Chemical Name:
[2-(4-bromophenyl)-2-oxoethyl] thiocyanate
Synonyms:
65679-14-3;2-(4-Bromophenyl)-2-oxoethyl thiocyanate;4-Bromophenacyl thiocyanate;1-(4-Bromophenyl)-2-thiocyanatoethanone;[2-(4-bromophenyl)-2-oxoethyl] thiocyanate;4'-Bromophenacyl thiocyanate;55796-76-4;Thiocyanic acid, 2-(4-bromophenyl)-2-oxoethyl ester;[2-(4-bromophenyl)-2-oxoethyl]thiocarbonitrile;Cyto3B7;4-Bromophenacylthiocyanate;1-(4-bromophenyl)-2-thiocyanatoethan-1-one;NCIOpen2_002545;1-(4-bromophenyl)-2-(cyanosulfanyl)ethan-1-one;Thiocyanic acid,2-(4-bromophenyl)-2-oxoethyl ester;SCHEMBL3160988;DTXSID60288524;HMS1662C22;ALBB-025064;NSC56358;ZINC1686877;7514AE;MFCD00019770;NSC-56358;SBB072187;STL124597;AKOS005072884;HA-0720;MCULE-2025537424;2-(4-Bromophenyl)-2-oxoethyl thiocyanate #;FT-0641027;R1384;ST45027672;J-503251

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[2-(4-bromophenyl)-2-oxoethyl] thiocyanate Basic Attributes

Molecular Weight：

256.12 g/mol

Exact Mass：

254.93535 g/mol

NSC Number：

56358

DSSTox ID：

DTXSID60288524

Characteristics

PSA：

66.2 Å²

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:256.12
XLogP3:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:254.93535
Monoisotopic Mass:254.93535
Topological Polar Surface Area:66.2
Heavy Atom Count:13
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1,1-Dichloro-2-(4-methylphenyl)-2-oxoethyl thiocyanate Structure

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Guide of [2-(4-bromophenyl)-2-oxoethyl] thiocyanate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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