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4-(3-bromophenyl)-1-chloro-2-({2-nitrophenyl}sulfanyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-6-carboxylic acid

HCID 178620003
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Basic information

CAS
342431-31-6
Standard SMILES
O=C(O)c1cccc2c1NC(c1cccc(Br)c1)C1CC(Sc3ccccc3[N+](=O)[O-])C(Cl)C21
InChIKey
XAXWAUYMIPGHTD-UHFFFAOYSA-N
Molecular formula
C25H20BrClN2O4S
Average molar mass
559.86 g/mol

Names & identifiers

Preferred name
4-(3-bromophenyl)-1-chloro-2-({2-nitrophenyl}sulfanyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-6-carboxylic acid
English name
4-(3-bromophenyl)-1-chloro-2-({2-nitrophenyl}sulfanyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-6-carboxylic acid
Molecular formula
C25H20BrClN2O4S
Molecular weight
559.86

Names & synonyms

1H-Cyclopenta[c]quinoline-6-carboxylic acid, 4-(3-bromophenyl)-1-chloro-2,3,3a,4,5,9b-hexahydro-2-[(2-nitrophenyl)thio]-4-(3-bromophenyl)-1-chloro-2-({2-nitrophenyl}sulfanyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-6-carboxylic acid

Database identifiers

CAS
342431-31-6

Properties

Physicochemical properties

Boiling point
707.7 · 707.7±60.0 °C(Predicted)
Density
1.65 · 1.65±0.1 g/cm3(Predicted)
pka
3.67 · 3.67±0.70(Predicted)

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