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2-bromo-3-isothiocyanatoprop-1-ene

2-bromo-3-isothiocyanatoprop-1-ene structure

CAS No:
101670-63-7
Formula:
C4H4BrNS
Chemical Name:
2-bromo-3-isothiocyanatoprop-1-ene
Synonyms:
2-bromo-3-isothiocyanato-propene; (2-Brom-allyl)-senfoel; 2-Bromoallyl isothiocyanate; ISOTHIOCYANIC ACID,2-BROMOALLYL ESTER; 2-Brom-allylisothiocyanat; 1-Propene,2-bromo-3-isothiocyanato;Expand

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2-bromo-3-isothiocyanatoprop-1-ene Basic Attributes

Molecular Weight：

178.05000

Exact Mass：

176.92478 g/mol

NSC Number：

172287

DSSTox ID：

DTXSID90144109

Characteristics

PSA：

44.45000

XLogP3：

1.99780

Density：

1.46g/cm3

Boiling Point：

213.7ºC

Flash Point：

83ºC

Refractive Index：

1.55

Vapor Pressure：

0.236mmHg at 25°C

Computed Properties

Molecular Weight:178.05
XLogP3:2.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:176.92478
Monoisotopic Mass:176.92478
Topological Polar Surface Area:44.4
Heavy Atom Count:7
Complexity:115
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-bromo-3-isothiocyanatoprop-1-ene

Basic Attributes
Characteristics
Computed Properties

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