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Benzo[ghi]perylene-d12

CAT: 0572-TRC-B207702-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B207702-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
93951-66-7
Synonyms
Benzo[ghi]perylene-1,2,3,4,5,6,7,8,9,10,11,12-d12; Benzo[ghi]perylene-d12 (9CI); Perdeuterated benzo[ghi]perylene; Benzo[g,h,i]perylene D12
Hazard Statement
Very toxic to aquatic life; UN number: UN3077; Packing Group: III
Smiles
[2H]c1c([2H])c2c([2H])c([2H])c3c([2H])c([2H])c4c([2H])c([2H])c5c([2H])c([2H])c([2H])c6c(c1[2H])c2c3c4c56
Molecular Formula
C22 2H12
Molecular Weight
288.4
InChI
InChI=1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
Additionnal Information
IUPAC name: Benzo[ghi]perylene-1,2,3,4,5,6,7,8,9,10,11,12-d12
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Benzo(ghi)perylene-D12
CAS Number93951-66-7
PubChem CID12073192
IUPAC Name1,2,4,5,7,8,10,11,13,14,15,22-dodecadeuteriohexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene
Molecular FormulaC22H12
Molecular Weight288.4
XLogP6.6
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity411
SMILES
[2H]C1=C(C2=C3C(=C1[2H])C4=C(C(=C(C5=C4C6=C(C(=C5[2H])[2H])C(=C(C(=C36)C(=C2[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H]
InChI
InChI=1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
InChIKey
GYFAGKUZYNFMBN-AQZSQYOVSA-N
Chemical Structure
2D Structure
2D structure of Benzo(ghi)perylene-D12
CAS: 93951-66-7
CID: 12073192
Formula: C22H12
MW: 288.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.4
XLogP36.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass288.169221334
Monoisotopic Mass288.169221334
Topological Polar Surface Area0 Ų
Heavy Atom Count22
Formal Charge0
Complexity411
Isotope Atom Count12
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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