AB21547
23030-65-1 | 2-Bromo-5-methoxycyclohexa-2,5-diene-1,4-dione
Manufacturer: A2B Chem
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CatalogNumber
AB21547
ChemicalName
2-Bromo-5-methoxycyclohexa-2,5-diene-1,4-dione
CasNumber
23030-65-1
MolecularFormula
C7H5BrO3
MolecularWeight
217.0168
MdlNumber
MFCD18452273
Smiles
COC1=CC(=O)C(=CC1=O)Br
NscNumber
623636
Complexity
275
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
1.1
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CatalogNumber: AB21547
ChemicalName: 2-Bromo-5-methoxycyclohexa-2,5-diene-1,4-dione
CasNumber: 23030-65-1
MolecularFormula: C7H5BrO3
MolecularWeight: 217.0168
MdlNumber: MFCD18452273
Smiles: COC1=CC(=O)C(=CC1=O)Br
NscNumber: 623636
Complexity: 275
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AB21547
ChemicalName:
2-Bromo-5-methoxycyclohexa-2,5-diene-1,4-dione
CasNumber:
23030-65-1
MolecularFormula:
C7H5BrO3
MolecularWeight:
217.0168
MdlNumber:
MFCD18452273
Smiles:
COC1=CC(=O)C(=CC1=O)Br
NscNumber:
623636
Complexity:
275
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
1.1
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Smiles: O[C@@H]1C[C@H](O[C@H]1C)C[N+](C)(C)C.[Cl-]
NscNumber: __
Complexity: __
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__
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Smiles:
O[C@@H]1C[C@H](O[C@H]1C)C[N+](C)(C)C.[Cl-]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: [O-][N+](=O)c1ccc(cc1)Oc1cccc(c1)C(F)(F)F
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Smiles:
[O-][N+](=O)c1ccc(cc1)Oc1cccc(c1)C(F)(F)F
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Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
__
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Smiles: Cc1cccc(c1)Oc1ccc(cc1)[N+](=O)[O-]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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CatalogNumber:
__
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:
Cc1cccc(c1)Oc1ccc(cc1)[N+](=O)[O-]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__