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Olefin impurity

CAT: 0572-TRC-O524490-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O524490-25MGSize:25 mg
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CAS Number
1622406-34-1
Synonyms
Olefin impurity
Hazard Statement
No Data Available
Smiles
O=C(NC1=CC=C(Cl)C=C1C(=C)C=2C=CC=CC2)NCC
Molecular Formula
C17H17ClN2O
Molecular Weight
300.78
InChI
InChI=1S/C17H17ClN2O/c1-3-19-17(21)20-16-10-9-14(18)11-15(16)12(2)13-7-5-4-6-8-13/h4-11H,2-3H2,1H3,(H2,19,20,21)

Chemical Information

Olefin impurity
CAS Number1622406-34-1
PubChem CID59661315
IUPAC Name1-[4-chloro-2-(1-phenylethenyl)phenyl]-3-ethylurea
Molecular FormulaC17H17ClN2O
Molecular Weight300.8
XLogP4.6
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity366
SMILES
CCNC(=O)NC1=C(C=C(C=C1)Cl)C(=C)C2=CC=CC=C2
InChI
InChI=1S/C17H17ClN2O/c1-3-19-17(21)20-16-10-9-14(18)11-15(16)12(2)13-7-5-4-6-8-13/h4-11H,2-3H2,1H3,(H2,19,20,21)
InChIKey
FWORZRZZFMPJMV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Olefin impurity
CAS: 1622406-34-1
CID: 59661315
Formula: C17H17ClN2O
MW: 300.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.8
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass300.1029409
Monoisotopic Mass300.1029409
Topological Polar Surface Area41.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity366
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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