AC76598
6950-43-2 | 5-Bromo-2-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AC76598
ChemicalName
5-Bromo-2-nitrobenzoic acid
CasNumber
6950-43-2
MolecularFormula
C7H4BrNO4
MolecularWeight
246.015
MdlNumber
MFCD00093013
Smiles
Brc1ccc(c(c1)C(=O)O)[N+](=O)[O-]
NscNumber
65749
Complexity
227
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.2
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CatalogNumber: AC76598
ChemicalName: 5-Bromo-2-nitrobenzoic acid
CasNumber: 6950-43-2
MolecularFormula: C7H4BrNO4
MolecularWeight: 246.015
MdlNumber: MFCD00093013
Smiles: Brc1ccc(c(c1)C(=O)O)[N+](=O)[O-]
NscNumber: 65749
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AC76598
ChemicalName:
5-Bromo-2-nitrobenzoic acid
CasNumber:
6950-43-2
MolecularFormula:
C7H4BrNO4
MolecularWeight:
246.015
MdlNumber:
MFCD00093013
Smiles:
Brc1ccc(c(c1)C(=O)O)[N+](=O)[O-]
NscNumber:
65749
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O1CCN(CC1)c1nsnc1OC[C@H]1OC1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
O1CCN(CC1)c1nsnc1OC[C@H]1OC1
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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RotatableBondCount:
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ChemicalName: __
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MolecularFormula: __
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Smiles: C1CCC2C(C1)CNC2.Cl
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MolecularWeight:
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Smiles:
C1CCC2C(C1)CNC2.Cl
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
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Smiles: CCCCCC(C#C[Si](C)(C)C)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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:
CCCCCC(C#C[Si](C)(C)C)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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