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13726-16-4

13726-16-4 structural image
Product Name: 3-CHLORO-4-METHOXYBENZALDEHYDE
Formula: C8H7ClO2
Synonyms: 3-Chloro-p-anisaldehyde
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H227:Flammable liquids
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P370+P378:In case of fire: Use … for extinction.
P403+P235:Store in a well-ventilated place. Keep cool.

COMPUTED DESCRIPTORS

Molecular Weight 170.59 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 170.0134572 g/mol
Monoisotopic Mass 170.0134572 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 138
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

4-Chloro-3-methoxybenzaldehyde is a natural product found in Lepista diemii and Lepista nuda with data available.