AA87758
161768-66-7 | N-Isobutyl 4-bromobenzamide
Manufacturer: A2B Chem
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CatalogNumber
AA87758
ChemicalName
N-Isobutyl 4-bromobenzamide
CasNumber
161768-66-7
MolecularFormula
C11H14BrNO
MolecularWeight
256.139
MdlNumber
MFCD01212030
Smiles
CC(CNC(=O)c1ccc(cc1)Br)C
Complexity
186
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.2
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CatalogNumber: AA87758
ChemicalName: N-Isobutyl 4-bromobenzamide
CasNumber: 161768-66-7
MolecularFormula: C11H14BrNO
MolecularWeight: 256.139
MdlNumber: MFCD01212030
Smiles: CC(CNC(=O)c1ccc(cc1)Br)C
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AA87758
ChemicalName:
N-Isobutyl 4-bromobenzamide
CasNumber:
161768-66-7
MolecularFormula:
C11H14BrNO
MolecularWeight:
256.139
MdlNumber:
MFCD01212030
Smiles:
CC(CNC(=O)c1ccc(cc1)Br)C
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.2
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Smiles: O[C@@H]1[C@@H](COP(=O)(OP(=O)([O-])[O-])O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N.[Na+].[Na+]
Complexity: 627
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
O[C@@H]1[C@@H](COP(=O)(OP(=O)([O-])[O-])O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N.[Na+].[Na+]
Complexity:
627
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: OCc1cccc2c1cccn2
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:
OCc1cccc2c1cccn2
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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