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CAS 19259-90-6 ACETYL CHLORIDE-D3 molecular structure lightbox
CAS RN: 19259-90-6

ACETYL CHLORIDE-D3

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Batchno.20250827 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS19259-90-6
  • Purity/Analytical Methods: >99.0%
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19259-90-6 / 2,2,2-trideuterioacetyl chloride

Standard CAS: 19259-90-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19259-90-6
Multi CAS
No
Molecular Formula
C2H3ClO
Molecular Weight
81.510000
Exact Mass
81.006073
SMILES
[2H]C([2H])([2H])C(=O)Cl
InChI
InChI=1S/C2H3ClO/c1-2(3)4/h1H3/i1D3
InChIKey
WETWJCDKMRHUPV-FIBGUPNXSA-N

Computed Properties

Structural Parameters

Heavy atom count
4
Fraction Csp3
0.5
H-bond acceptors
1
Molar refractivity
16.53
TPSA
17.07

LogP / Solubility

WLOGP
0.77
MLOGP
0.66
XLogP3
0.8
Consensus LogP
0.74
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.81
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1

Safety & Transport

Pictogram(s)
Flammable Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501

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