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479064-90-9

479064-90-9 structural image
Product Name: Boc-(S)-3-Amino-3-(4-chlorophenyl)propionic acid
Formula: C14H18ClNO4
Synonyms: (S)-3-(Boc-amino)-3-(4-chlorophenyl)propionic acid;Boc-4-chloro-D-β-phenylalanine
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 299.75 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 6
Exact Mass 299.0924357 g/mol
Monoisotopic Mass 299.0924357 g/mol
Topological Polar Surface Area 75.6 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 346
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes