AI52259
54616-46-5 | 2-Iodo-N,N-dimethylbenzamide
Manufacturer: A2B Chem
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CatalogNumber
AI52259
ChemicalName
2-Iodo-N,N-dimethylbenzamide
CasNumber
54616-46-5
MolecularFormula
C9H10INO
MolecularWeight
275.0863
MdlNumber
MFCD00463660
Smiles
CN(C(=O)c1ccccc1I)C
Complexity
170
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
1
RotatableBondCount
1
Xlogp3
2.3
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CatalogNumber: AI52259
ChemicalName: 2-Iodo-N,N-dimethylbenzamide
CasNumber: 54616-46-5
MolecularFormula: C9H10INO
MolecularWeight: 275.0863
MdlNumber: MFCD00463660
Smiles: CN(C(=O)c1ccccc1I)C
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AI52259
ChemicalName:
2-Iodo-N,N-dimethylbenzamide
CasNumber:
54616-46-5
MolecularFormula:
C9H10INO
MolecularWeight:
275.0863
MdlNumber:
MFCD00463660
Smiles:
CN(C(=O)c1ccccc1I)C
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
2.3
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Smiles: O=C1NC(=O)NC21CCC1(CC2)OCCO1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=C1NC(=O)NC21CCC1(CC2)OCCO1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)OC(c1ccccc1)c1ccccc1)O)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)OC(c1ccccc1)c1ccccc1)O)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: COc1ccc(c(c1)[N+](=O)[O-])NS(=O)(=O)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COc1ccc(c(c1)[N+](=O)[O-])NS(=O)(=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__