Dichloro-2,2-P-Cyclophane

CAT: 0127-OR1012843Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

28804-46-8

MDL Number

MFCD01677987

Purity

99%, mixture of isomers

Smiles

ClC1Cc2ccc(cc2)C(Cl)Cc3ccc1cc3

Chemical Information

Tricyclo(8.2.2.24,7)hexadeca-4,6,10,12,13,15-hexaene, dichloro-

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CAS Number	28804-46-8
PubChem CID	22908568
IUPAC Name	2,8-dichlorotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
Molecular Formula	C16H14Cl2
Molecular Weight	277.2
XLogP	4.8
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	18
Formal Charge	0
Complexity	234

SMILES

C1C(C2=CC=C(CC(C3=CC=C1C=C3)Cl)C=C2)Cl

InChI

InChI=1S/C16H14Cl2/c17-15-9-11-1-5-13(6-2-11)16(18)10-12-3-7-14(15)8-4-12/h1-8,15-16H,9-10H2

InChIKey

VRBFTYUMFJWSJY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 28804-46-8

CID: 22908568

Formula: C16H14Cl2

MW: 277.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	277.2
XLogP3	4.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	276.0472558
Monoisotopic Mass	276.0472558
Topological Polar Surface Area	0 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	234
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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