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Levocetirizine Impurity 7

CAT: 1596-AR-C02337-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C02337-01Size:10 Units
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CAS Number
58023-19-1
Synonyms
N, N-bis (2-chloroethyl) benzenesulfonamide; N, N-Bis (2-chloroethyl) benzenesulfonamide; NSC 240403
Molecular Formula
C10H13ClNO2S
Molecular Weight
282.19
API Name
Cetirizine

Chemical Information

N,N-Bis(2-chloroethyl)benzenesulfonamide
CAS Number58023-19-1
PubChem CID315320
IUPAC NameN,N-bis(2-chloroethyl)benzenesulfonamide
Molecular FormulaC10H13Cl2NO2S
Molecular Weight282.19
XLogP2.3
Topological Polar Surface Area45.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count16
Formal Charge0
Complexity278
SMILES
C1=CC=C(C=C1)S(=O)(=O)N(CCCl)CCCl
InChI
InChI=1S/C10H13Cl2NO2S/c11-6-8-13(9-7-12)16(14,15)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKey
RVQHTQXSEYERJS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N-Bis(2-chloroethyl)benzenesulfonamide
CAS: 58023-19-1
CID: 315320
Formula: C10H13Cl2NO2S
MW: 282.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.19
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass281.0044052
Monoisotopic Mass281.0044052
Topological Polar Surface Area45.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity278
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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