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6,7-ADTN hydrobromide

CAT: 0024-sc-251693ASize: 25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-251693ASize:25 mg
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CAS Number
13575-86-5

Chemical Information

6,7-ADTN hydrobromide

See also: 6-Amino-5,6,7,8-tetrahydro-2,3-naphthalenediol (annotation moved to).

CAS Number13575-86-5
PubChem CID11957526
IUPAC Name6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol;hydrobromide
Molecular FormulaC10H14BrNO2
Molecular Weight260.13
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity186
SMILES
C1CC2=CC(=C(C=C2CC1N)O)O.Br
InChI
InChI=1S/C10H13NO2.BrH/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8;/h4-5,8,12-13H,1-3,11H2;1H
InChIKey
ZGHHIOBQEXZBAG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6,7-ADTN hydrobromide
CAS: 13575-86-5
CID: 11957526
Formula: C10H14BrNO2
MW: 260.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight260.13
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass259.02079
Monoisotopic Mass259.02079
Topological Polar Surface Area66.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity186
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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