2-Bromo-5,6,7,8,9,10-hexahydrocyclohepta[b]indole
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Basic information
- CAS
109160-55-6- Standard SMILES
Brc1ccc2[nH]c3c(c2c1)CCCCC3- InChIKey
UMNCLVIQKRHZQJ-UHFFFAOYSA-N- Molecular formula
- C13H14BrN
- Average molar mass
- 264.16 g/mol
Names & identifiers
- Preferred name
- 2-Bromo-5,6,7,8,9,10-hexahydrocyclohepta[b]indole
- IUPAC
- 2-bromo-5,6,7,8,9,10-hexahydrocyclohepta[b]indole
- English name
- 2-bromo-5,6,7,8,9,10-hexahydrocyclohepta[b]indole
- Molecular formula
- C13H14BrN
- Molecular weight
- 264.16
Names & synonyms
2-bromo-5,6,7,8,9,10-hexahydrocyclohepta[b]indole109160-55-6SCHEMBL1613666UMNCLVIQKRHZQJ-UHFFFAOYSA-NMFCD03133849STK678784AKOS005595293NCGC00342778-01ST045806CS-0335440EU-0053322H40446
Show more names
Cyclohept[b]indole, 2-bromo-5,6,7,8,9,10-hexahydro-
AB01334274-02SR-01000538949SR-01000538949-12-bromo-6,7,8,9,10-pentahydrocyclohepta[1,2-b]indole2-BROMO-5H,6H,7H,8H,9H,10H-CYCLOHEPTA[B]INDOLE
Database identifiers
- CAS
109160-55-6
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Boiling point
- 391.5 · 391.5±37.0 °C(Predicted)
- Density
- 1.446 · 1.446±0.06 g/cm3(Predicted)
- pka
- 16.88 · 16.88±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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