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2-Allyl-4-chlorophenol

2-Allyl-4-chlorophenol structure

CAS No:
13997-73-4
Formula:
C9H9ClO
Chemical Name:
2-Allyl-4-chlorophenol
Synonyms:
Phenol,4-chloro-2-(2-propen-1-yl)-;Phenol,2-allyl-4-chloro-;Phenol,4-chloro-2-(2-propenyl)-;4-Chloro-2-(2-propen-1-yl)phenol;2-Allyl-4-chlorophenol;4-Chloro-2-allylphenol;NSC 1539
Categories:
Organic Chemistry > Nitrogen Compounds

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2-Allyl-4-chlorophenol Basic Attributes

Molecular Weight：

168.62016

Exact Mass：

168.62

EC Number：

237-797-1

UNII：

4MA4H6DQ3X

NSC Number：

1539

DSSTox ID：

DTXSID9074513

Characteristics

PSA：

20.2

XLogP3：

2.77410

Appearance：

white like or light brown crystalline powder

Density：

1.169

Melting Point：

48 °C

Boiling Point：

133-134 °C @ Press: 15 Torr

Flash Point：

105 ºC

Refractive Index：

1.5348 (estimate)

Vapor Pressure：

0.0138mmHg at 25°C

Computed Properties

Molecular Weight:168.62
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:168.0341926
Monoisotopic Mass:168.0341926
Topological Polar Surface Area:20.2
Heavy Atom Count:11
Complexity:136
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes