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3-Bromocyclooctene

HCID 549150
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Basic information

CAS
7422-06-2
Standard SMILES
BrC1C=CCCCCC1
InChIKey
XOAUXFIKYVGQHT-UHFFFAOYSA-N
Molecular formula
C8H13Br
Average molar mass
189.09 g/mol
Monoisotopic mass
188.02006

Names & identifiers

Preferred name
3-Bromocyclooctene
IUPAC
3-bromocyclooctene

Names & synonyms

3-bromocyclooctene7422-06-2DTXSID90338445RefChem:277748DTXCID00289530(Z)-3-Bromo-1-cyclooctene3-bromocyclooct-1-ene3-bromo-cycloocteneSCHEMBL551176XOAUXFIKYVGQHT-UHFFFAOYSA-NMFCD20621161SY167528

Database identifiers

CAS
7422-06-2
PubChem CID
549150
DTXSID
DTXSID90338445
EC Number
885-272-6

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
9
Formal charge
0
Complexity
96.7

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Related reactions

5 records
New reaction record
HRID 107275 reaction equation
HRID 107275As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1363950 reaction equation
HRID 1363950As reactantuspto-grants-2011_02
HRID 1537455 reaction equation
HRID 1537455As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1820576 reaction equation
HRID 1820576As reactantuspto-grants-2009_10
HRID 1979479 reaction equation
HRID 1979479As reactantuspto-grants-2001_05

Compound notes

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