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5-Chlorodibenzosuberane

CAT: 0024-sc-252262Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-252262Size:5 g
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CAS Number
1210-33-9

Chemical Information

5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-chloro-
CAS Number1210-33-9
PubChem CID14587
IUPAC Name2-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
Molecular FormulaC15H13Cl
Molecular Weight228.71
XLogP4.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity214
SMILES
C1CC2=CC=CC=C2C(C3=CC=CC=C31)Cl
InChI
InChI=1S/C15H13Cl/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15H,9-10H2
InChIKey
QPERNSDCEUTOTE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-chloro-
CAS: 1210-33-9
CID: 14587
Formula: C15H13Cl
MW: 228.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.71
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass228.0705781
Monoisotopic Mass228.0705781
Topological Polar Surface Area0 Ų
Heavy Atom Count16
Formal Charge0
Complexity214
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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