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6-Bromo-1H-Indene

CAT: 0127-OR1027869-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1027869-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
33065-61-1
Synonyms
6-bromo-1H-indene
Purity
98%
Smiles
C1C=CC2=C1C=C(C=C2)Br

Chemical Information

6-bromo-1H-indene
CAS Number33065-61-1
PubChem CID12679518
IUPAC Name6-bromo-1H-indene
Molecular FormulaC9H7Br
Molecular Weight195.06
XLogP3.6
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity151
SMILES
C1C=CC2=C1C=C(C=C2)Br
InChI
InChI=1S/C9H7Br/c10-9-5-4-7-2-1-3-8(7)6-9/h1-2,4-6H,3H2
InChIKey
BIRDZFUEYJFWNV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-bromo-1H-indene
CAS: 33065-61-1
CID: 12679518
Formula: C9H7Br
MW: 195.06
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight195.06
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass193.97311
Monoisotopic Mass193.97311
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity151
Isotope Atom Count0
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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