AD33753
18640-58-9 | 4'-Bromo-3'-nitroacetophenone
Manufacturer: A2B Chem
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CatalogNumber
AD33753
ChemicalName
4'-Bromo-3'-nitroacetophenone
CasNumber
18640-58-9
MolecularFormula
C8H6BrNO3
MolecularWeight
244.0421
MdlNumber
MFCD00016985
Smiles
[O-][N+](=O)c1cc(ccc1Br)C(=O)C
NscNumber
111656
Complexity
226
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
2.1
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CatalogNumber: AD33753
ChemicalName: 4'-Bromo-3'-nitroacetophenone
CasNumber: 18640-58-9
MolecularFormula: C8H6BrNO3
MolecularWeight: 244.0421
MdlNumber: MFCD00016985
Smiles: [O-][N+](=O)c1cc(ccc1Br)C(=O)C
NscNumber: 111656
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AD33753
ChemicalName:
4'-Bromo-3'-nitroacetophenone
CasNumber:
18640-58-9
MolecularFormula:
C8H6BrNO3
MolecularWeight:
244.0421
MdlNumber:
MFCD00016985
Smiles:
[O-][N+](=O)c1cc(ccc1Br)C(=O)C
NscNumber:
111656
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
2.1
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Smiles: COC(=O)C(c1cc(ccc1C(=O)O)[N+](=O)[O-])C(=O)OC
NscNumber: __
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
COC(=O)C(c1cc(ccc1C(=O)O)[N+](=O)[O-])C(=O)OC
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Complexity:
__
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Smiles: [O-][n+]1c2ccccc2nc2c1c1ccccc1cc2
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Smiles:
[O-][n+]1c2ccccc2nc2c1c1ccccc1cc2
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: NCC(=O)N[C@H](C(=O)O)CCCNC(=N)N
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCC(=O)N[C@H](C(=O)O)CCCNC(=N)N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__