AB31053
26454-82-0 | 2-(2-(4-Bromophenyl)-2-oxoethyl)malononitrile
Manufacturer: A2B Chem
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CatalogNumber
AB31053
ChemicalName
2-(2-(4-Bromophenyl)-2-oxoethyl)malononitrile
CasNumber
26454-82-0
MolecularFormula
C11H7BrN2O
MolecularWeight
263.0901
MdlNumber
MFCD10003246
Smiles
N#CC(CC(=O)c1ccc(cc1)Br)C#N
Complexity
311
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
1.9
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CatalogNumber: AB31053
ChemicalName: 2-(2-(4-Bromophenyl)-2-oxoethyl)malononitrile
CasNumber: 26454-82-0
MolecularFormula: C11H7BrN2O
MolecularWeight: 263.0901
MdlNumber: MFCD10003246
Smiles: N#CC(CC(=O)c1ccc(cc1)Br)C#N
Complexity: 311
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AB31053
ChemicalName:
2-(2-(4-Bromophenyl)-2-oxoethyl)malononitrile
CasNumber:
26454-82-0
MolecularFormula:
C11H7BrN2O
MolecularWeight:
263.0901
MdlNumber:
MFCD10003246
Smiles:
N#CC(CC(=O)c1ccc(cc1)Br)C#N
Complexity:
311
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.9
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Smiles: ClC(=O)C1c2ccccc2Oc2c1cccc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
__
MolecularFormula:
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Smiles:
ClC(=O)C1c2ccccc2Oc2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: O=C(c1cccs1)c1ccsc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1cccs1)c1ccsc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1cscc1)c1cscc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1cscc1)c1cscc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__