AE09020
107955-83-9 | 6-Bromo-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AE09020
ChemicalName
6-Bromo-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
CasNumber
107955-83-9
MolecularFormula
C10H7BrN2O2
MolecularWeight
267.0788
MdlNumber
MFCD00829040
Smiles
N#Cc1cc2c([nH]c1=O)CCC(C2=O)Br
Complexity
467
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
0.9
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CatalogNumber: AE09020
ChemicalName: 6-Bromo-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
CasNumber: 107955-83-9
MolecularFormula: C10H7BrN2O2
MolecularWeight: 267.0788
MdlNumber: MFCD00829040
Smiles: N#Cc1cc2c([nH]c1=O)CCC(C2=O)Br
Complexity: 467
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.9
CatalogNumber:
AE09020
ChemicalName:
6-Bromo-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
CasNumber:
107955-83-9
MolecularFormula:
C10H7BrN2O2
MolecularWeight:
267.0788
MdlNumber:
MFCD00829040
Smiles:
N#Cc1cc2c([nH]c1=O)CCC(C2=O)Br
Complexity:
467
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.9
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Smiles: CC(=O)Oc1cn(c2c1ccc(c2)Cl)C(=O)C
Complexity: __
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HeavyAtomCount: __
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Smiles:
CC(=O)Oc1cn(c2c1ccc(c2)Cl)C(=O)C
Complexity:
__
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HeavyAtomCount:
__
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UndefinedAtomStereocenterCount:
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Xlogp3:
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Smiles: O=C1CSC(C1)c1cccs1
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HydrogenBondAcceptorCount: __
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UndefinedAtomStereocenterCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
O=C1CSC(C1)c1cccs1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: S=c1nc2sccn2c2c1cccn2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
S=c1nc2sccn2c2c1cccn2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__