AC22784
86256-88-4 | 3-Bromo-5-phenyl-4,5-dihydroisoxazole
Manufacturer: A2B Chem
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CatalogNumber
AC22784
ChemicalName
3-Bromo-5-phenyl-4,5-dihydroisoxazole
CasNumber
86256-88-4
MolecularFormula
C9H8BrNO
MolecularWeight
226.0699
MdlNumber
MFCD11707003
Smiles
BrC1=NOC(C1)c1ccccc1
Complexity
187
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
2.5
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CatalogNumber: AC22784
ChemicalName: 3-Bromo-5-phenyl-4,5-dihydroisoxazole
CasNumber: 86256-88-4
MolecularFormula: C9H8BrNO
MolecularWeight: 226.0699
MdlNumber: MFCD11707003
Smiles: BrC1=NOC(C1)c1ccccc1
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.5
CatalogNumber:
AC22784
ChemicalName:
3-Bromo-5-phenyl-4,5-dihydroisoxazole
CasNumber:
86256-88-4
MolecularFormula:
C9H8BrNO
MolecularWeight:
226.0699
MdlNumber:
MFCD11707003
Smiles:
BrC1=NOC(C1)c1ccccc1
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.5
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Smiles: NC(=O)CSCc1ccco1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
NC(=O)CSCc1ccco1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
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Xlogp3:
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Smiles: O=CN1CCNC(=O)C1(C)C
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Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
O=CN1CCNC(=O)C1(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
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Smiles: Nc1c(Br)cccc1I
Complexity: __
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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MdlNumber:
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Smiles:
Nc1c(Br)cccc1I
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
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