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1-Bromonaphthalene-d7

CAT: 0024-sc-208627Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-208627Size:100 mg
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CAS Number
37621-57-1

Chemical Information

1-Bromonaphthalene-d7
CAS Number37621-57-1
PubChem CID45038458
IUPAC Name1-bromo-2,3,4,5,6,7,8-heptadeuterionaphthalene
Molecular FormulaC10H7Br
Molecular Weight214.11
XLogP4.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity133
SMILES
[2H]C1=C(C(=C2C(=C1[2H])C(=C(C(=C2Br)[2H])[2H])[2H])[2H])[2H]
InChI
InChI=1S/C10H7Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H/i1D,2D,3D,4D,5D,6D,7D
InChIKey
DLKQHBOKULLWDQ-GSNKEKJESA-N
Chemical Structure
2D Structure
2D structure of 1-Bromonaphthalene-d7
CAS: 37621-57-1
CID: 45038458
Formula: C10H7Br
MW: 214.11
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.11
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass213.01705
Monoisotopic Mass213.01705
Topological Polar Surface Area0 Ų
Heavy Atom Count11
Formal Charge0
Complexity133
Isotope Atom Count7
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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