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1,2-dibromo-3-isothiocyanatoprop-1-ene

1,2-dibromo-3-isothiocyanatoprop-1-ene structure

CAS No:
101670-66-0
Formula:
C4H3Br2NS
Chemical Name:
1,2-dibromo-3-isothiocyanatoprop-1-ene
Synonyms:
1-Propene,1,2-dibromo-3-isothiocyanato;

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1,2-dibromo-3-isothiocyanatoprop-1-ene Basic Attributes

Molecular Weight：

256.94600

Exact Mass：

256.83325 g/mol

Characteristics

PSA：

44.45000

XLogP3：

2.72040

Density：

1.9g/cm3

Boiling Point：

264.7ºC

Flash Point：

113.9ºC

Refractive Index：

1.604

Vapor Pressure：

0.0156mmHg at 25°C

Computed Properties

Molecular Weight:256.95
XLogP3:3.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:256.83325
Monoisotopic Mass:254.83530
Topological Polar Surface Area:44.4
Heavy Atom Count:8
Complexity:137
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,2-dibromo-3-isothiocyanatoprop-1-ene

Basic Attributes
Characteristics
Computed Properties

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