Celecoxib impurity 1

CAS No. 170570-01-1
Cat. No. CS-0513997
Molecule weight381.37
Purity≥98%
MDL No.MFCD21363467

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Structure of 170570-01-1

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General Information
Safety Information
Quality Control
Computational Chemistry Data

General Information

CAS No. 170570-01-1
Cat. No. CS-0513997
Purity ≥98%
MDL No. MFCD21363467
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₇H₁₄F₃N₃O₂S
Molecular Weight 381.37
Synonym(s) None
SMILES O=S(=O)(N)C1=CC=C(C=C1)N2N=C(C=C2C=3C=CC=C(C3)C)C(F)(F)F

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

TPSA 77.98
LogP 3.51392
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Sulfonamide

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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Celecoxib impurity 1

CAS No. 170570-01-1