2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid

HCID 514261
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Basic information

CAS
494799-76-7
Standard SMILES
O=C(O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1
InChIKey
ZVUVBRNZBOZLBU-UHFFFAOYSA-N
Molecular formula
C15H16BrNO2
Average molar mass
322.2 g/mol
Monoisotopic mass
321.03644085

Names & identifiers

Preferred name
2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid
IUPAC
2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid
English name
2-broMo-3-cyclohexyl-1H-indole-6-carboxylic acid
Molecular formula
C15H16BrNO2
Molecular weight
322.2

Names & synonyms

2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid494799-76-72-Bromo-3-cyclohexyl-1H-indole-6-carboxylicacidSCHEMBL50743DTXSID50333613TQP0844ZVUVBRNZBOZLBU-UHFFFAOYSA-NSB15024DA-26900CS-00920151H-Indole-6-carboxylic acid, 2-bromo-3-cyclohexyl-2-Bromo-3-cyclohexyl-1H-indole-6-carboxylic acid, 97%
Show more names
2-Bromo-3-cyclohexylindole-6-carboxylic acid3-Cyclohexyl-2-Bromo-1H-indole-6-carboxylic acid

Database identifiers

CAS
494799-76-7
PubChem CID
514261
DTXSID
DTXSID50333613

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
53.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
19

Physicochemical properties

Boiling point
509.4 · 509.4±50.0 °C(Predicted)
Density
1.521 · 1.521±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
4.33 · 4.33±0.30(Predicted)

Chemistry & industry

Upstream & downstream products

Suppliers5 total

苏州美石生物科技有限公司1173954148q · [email protected]
兰州安杰利生物化学科技有限公司0931-8235634 13321316780
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

Related reactions

13 records
New reaction record

Compound notes

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