AB42729
16111-07-2 | 1-(2-Hydroxyethyl)-3,3-dimethylindolino-6'-nitrobenzopyrylospiran
Manufacturer: A2B Chem
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CatalogNumber
AB42729
ChemicalName
1-(2-Hydroxyethyl)-3,3-dimethylindolino-6'-nitrobenzopyrylospiran
CasNumber
16111-07-2
MolecularFormula
C20H20N2O4
MolecularWeight
352.3838
MdlNumber
MFCD00369031
Smiles
OCCN1c2ccccc2C(C21C=Cc1c(O2)ccc(c1)[N+](=O)[O-])(C)C
Complexity
587
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
4.1
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CatalogNumber: AB42729
ChemicalName: 1-(2-Hydroxyethyl)-3,3-dimethylindolino-6'-nitrobenzopyrylospiran
CasNumber: 16111-07-2
MolecularFormula: C20H20N2O4
MolecularWeight: 352.3838
MdlNumber: MFCD00369031
Smiles: OCCN1c2ccccc2C(C21C=Cc1c(O2)ccc(c1)[N+](=O)[O-])(C)C
Complexity: 587
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 4.1
CatalogNumber:
AB42729
ChemicalName:
1-(2-Hydroxyethyl)-3,3-dimethylindolino-6'-nitrobenzopyrylospiran
CasNumber:
16111-07-2
MolecularFormula:
C20H20N2O4
MolecularWeight:
352.3838
MdlNumber:
MFCD00369031
Smiles:
OCCN1c2ccccc2C(C21C=Cc1c(O2)ccc(c1)[N+](=O)[O-])(C)C
Complexity:
587
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
4.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1NC(=O)CC2(C1)CCCC2
Complexity: 211
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1NC(=O)CC2(C1)CCCC2
Complexity:
211
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1
CatalogNumber: AB42731
ChemicalName: 3-Bromo-5-fluoropyridine
CasNumber: 407-20-5
MolecularFormula: C5H3BrFN
MolecularWeight: 175.9864
MdlNumber: MFCD04112555
Smiles: Fc1cncc(c1)Br
Complexity: 78.8
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.6
CatalogNumber:
AB42731
ChemicalName:
3-Bromo-5-fluoropyridine
CasNumber:
407-20-5
MolecularFormula:
C5H3BrFN
MolecularWeight:
175.9864
MdlNumber:
MFCD04112555
Smiles:
Fc1cncc(c1)Br
Complexity:
78.8
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__