AC66545
72702-95-5 | Statil
Manufacturer: A2B Chem
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CatalogNumber
AC66545
ChemicalName
Statil
CasNumber
72702-95-5
MolecularFormula
C17H12BrFN2O3
MolecularWeight
391.1912
MdlNumber
MFCD00204117
Smiles
OC(=O)Cc1nn(Cc2ccc(cc2F)Br)c(=O)c2c1cccc2
Complexity
542
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.2
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CatalogNumber: AC66545
ChemicalName: Statil
CasNumber: 72702-95-5
MolecularFormula: C17H12BrFN2O3
MolecularWeight: 391.1912
MdlNumber: MFCD00204117
Smiles: OC(=O)Cc1nn(Cc2ccc(cc2F)Br)c(=O)c2c1cccc2
Complexity: 542
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.2
CatalogNumber:
AC66545
ChemicalName:
Statil
CasNumber:
72702-95-5
MolecularFormula:
C17H12BrFN2O3
MolecularWeight:
391.1912
MdlNumber:
MFCD00204117
Smiles:
OC(=O)Cc1nn(Cc2ccc(cc2F)Br)c(=O)c2c1cccc2
Complexity:
542
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(CCOC(=O)C(c1ccccc1)(c1ccccc1)O)C.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CN(CCOC(=O)C(c1ccccc1)(c1ccccc1)O)C.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: S=C=Nc1cc(ccc1OC)[N+](=O)[O-]
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
S=C=Nc1cc(ccc1OC)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
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MdlNumber: __
Smiles: CN1CCN(CC1)C(=O)C(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CN1CCN(CC1)C(=O)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__