AD59612
220904-83-6 | 3-(3,5-dibromo-4-hydroxybenzylidene)-5-iodoindolin-2-one
Manufacturer: A2B Chem
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CatalogNumber
AD59612
ChemicalName
3-(3,5-dibromo-4-hydroxybenzylidene)-5-iodoindolin-2-one
CasNumber
220904-83-6
MolecularFormula
C15H8Br2INO2
MolecularWeight
520.942
MdlNumber
MFCD09971042
Smiles
Ic1ccc2c(c1)/C(=C/c1cc(Br)c(c(c1)Br)O)/C(=O)N2
Complexity
447
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
4.6
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CatalogNumber: AD59612
ChemicalName: 3-(3,5-dibromo-4-hydroxybenzylidene)-5-iodoindolin-2-one
CasNumber: 220904-83-6
MolecularFormula: C15H8Br2INO2
MolecularWeight: 520.942
MdlNumber: MFCD09971042
Smiles: Ic1ccc2c(c1)/C(=C/c1cc(Br)c(c(c1)Br)O)/C(=O)N2
Complexity: 447
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 4.6
CatalogNumber:
AD59612
ChemicalName:
3-(3,5-dibromo-4-hydroxybenzylidene)-5-iodoindolin-2-one
CasNumber:
220904-83-6
MolecularFormula:
C15H8Br2INO2
MolecularWeight:
520.942
MdlNumber:
MFCD09971042
Smiles:
Ic1ccc2c(c1)/C(=C/c1cc(Br)c(c(c1)Br)O)/C(=O)N2
Complexity:
447
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
4.6
CatalogNumber: AD59613
ChemicalName: 1-(4-Bromophenyl)pyrrolidine
CasNumber: 22090-26-2
MolecularFormula: C10H12BrN
MolecularWeight: 226.113
MdlNumber: MFCD04112480
Smiles: Brc1ccc(cc1)N1CCCC1
Complexity: 135
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 4.3
CatalogNumber:
AD59613
ChemicalName:
1-(4-Bromophenyl)pyrrolidine
CasNumber:
22090-26-2
MolecularFormula:
C10H12BrN
MolecularWeight:
226.113
MdlNumber:
MFCD04112480
Smiles:
Brc1ccc(cc1)N1CCCC1
Complexity:
135
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
4.3
CatalogNumber: AD59614
ChemicalName: 4-Piperidin-1-yl-benzoic acid
CasNumber: 22090-24-0
MolecularFormula: C12H15NO2
MolecularWeight: 205.253
MdlNumber: MFCD00587602
Smiles: OC(=O)c1ccc(cc1)N1CCCCC1
Complexity: 216
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AD59614
ChemicalName:
4-Piperidin-1-yl-benzoic acid
CasNumber:
22090-24-0
MolecularFormula:
C12H15NO2
MolecularWeight:
205.253
MdlNumber:
MFCD00587602
Smiles:
OC(=O)c1ccc(cc1)N1CCCCC1
Complexity:
216
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC(COc1ccc(cc1)B(O)O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(COc1ccc(cc1)B(O)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__