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Venetoclax Impurity 37

CAT: 1299-RM-V051437-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-V051437-01Size:10 mg
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CAS Number
1228837-05-5
Synonyms
4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-carbaldehyde
Molecular Formula
C15H17ClO
Molecular Weight
248.75
Target Alternative Name
Venetoclax
Product Name Synonym
4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-carbaldehyde

Chemical Information

2-(4-Chlorophenyl)-4,4-dimethyl-cyclohexene-1-carbaldehyde
CAS Number1228837-05-5
PubChem CID87279414
IUPAC Name2-(4-chlorophenyl)-4,4-dimethylcyclohexene-1-carbaldehyde
Molecular FormulaC15H17ClO
Molecular Weight248.75
XLogP4.1
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity322
SMILES
CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)C=O)C
InChI
InChI=1S/C15H17ClO/c1-15(2)8-7-12(10-17)14(9-15)11-3-5-13(16)6-4-11/h3-6,10H,7-9H2,1-2H3
InChIKey
OOUSVDAPSBFSBR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Chlorophenyl)-4,4-dimethyl-cyclohexene-1-carbaldehyde
CAS: 1228837-05-5
CID: 87279414
Formula: C15H17ClO
MW: 248.75
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.75
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass248.0967929
Monoisotopic Mass248.0967929
Topological Polar Surface Area17.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity322
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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