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[ CAS No. 443-84-5 ] {[proInfo.proName]}

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HazMat Fee +

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Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 443-84-5
Chemical Structure| 443-84-5
Structure of 443-84-5 * Storage: {[proInfo.prStorage]}

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Product Details of [ 443-84-5 ]

CAS No. :443-84-5 MDL No. :MFCD00043898
Formula : C7H6F2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :MZLSNIREOQCDED-UHFFFAOYSA-N
M.W : 128.12 Pubchem ID :581493
Synonyms :

Calculated chemistry of [ 443-84-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 31.32
TPSA : 0.0 ?2

Pharmacokinetics

GI absorption : Low
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) : -5.31 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.05
Log Po/w (XLOGP3) : 2.49
Log Po/w (WLOGP) : 3.11
Log Po/w (MLOGP) : 3.48
Log Po/w (SILICOS-IT) : 3.15
Consensus Log Po/w : 2.86

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.7
Solubility : 0.258 mg/ml ; 0.00201 mol/l
Class : Soluble
Log S (Ali) : -2.14
Solubility : 0.939 mg/ml ; 0.00733 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.3
Solubility : 0.0638 mg/ml ; 0.000498 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.0

Safety of [ 443-84-5 ]

Signal Word:Danger Class:3
Precautionary Statements:P210 UN#:1993
Hazard Statements:H225 Packing Group:Ⅱ
GHS Pictogram:

Application In Synthesis of [ 443-84-5 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 443-84-5 ]
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