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Benzo[c]phenanthrene-d5

CAT: 0572-TRC-B121902-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B121902-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1795011-61-8
Hazard Statement
Harmful in contact with skin.
Smiles
[2H]c1cc2ccc3ccccc3c2c4c([2H])c([2H])c([2H])c([2H])c14
Molecular Formula
C18 D5 H7
Molecular Weight
233.32
InChI
InChI=1S/C18H12/c1-3-7-16-13(5-1)9-11-15-12-10-14-6-2-4-8-17(14)18(15)16/h1-12H/i1D,3D,5D,7D,9D
Additionnal Information
IUPAC name: 1,2,3,4,5-pentadeuteriobenzo[c]phenanthrene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Benzo[c]phenanthrene-d5
CAS Number1795011-61-8
PubChem CID71313635
IUPAC Name1,2,3,4,5-pentadeuteriobenzo[c]phenanthrene
Molecular FormulaC18H12
Molecular Weight233.3
XLogP5.7
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity266
SMILES
[2H]C1=CC2=C(C3=CC=CC=C3C=C2)C4=C(C(=C(C(=C14)[2H])[2H])[2H])[2H]
InChI
InChI=1S/C18H12/c1-3-7-16-13(5-1)9-11-15-12-10-14-6-2-4-8-17(14)18(15)16/h1-12H/i1D,3D,5D,7D,9D
InChIKey
TUAHORSUHVUKBD-KRQPPVTFSA-N
Chemical Structure
2D Structure
2D structure of Benzo[c]phenanthrene-d5
CAS: 1795011-61-8
CID: 71313635
Formula: C18H12
MW: 233.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight233.3
XLogP35.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass233.125284113
Monoisotopic Mass233.125284113
Topological Polar Surface Area0 Ų
Heavy Atom Count18
Formal Charge0
Complexity266
Isotope Atom Count5
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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