AD94531
857895-53-5 | Ethyl 5-bromo-2-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AD94531
ChemicalName
Ethyl 5-bromo-2-nitrobenzoate
CasNumber
857895-53-5
MolecularFormula
C9H8BrNO4
MolecularWeight
274.0681
MdlNumber
MFCD12406860
Smiles
[O-][N+](=O)c1ccc(cc1C(=O)OCC)Br
Complexity
253
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
2.9
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CatalogNumber: AD94531
ChemicalName: Ethyl 5-bromo-2-nitrobenzoate
CasNumber: 857895-53-5
MolecularFormula: C9H8BrNO4
MolecularWeight: 274.0681
MdlNumber: MFCD12406860
Smiles: [O-][N+](=O)c1ccc(cc1C(=O)OCC)Br
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AD94531
ChemicalName:
Ethyl 5-bromo-2-nitrobenzoate
CasNumber:
857895-53-5
MolecularFormula:
C9H8BrNO4
MolecularWeight:
274.0681
MdlNumber:
MFCD12406860
Smiles:
[O-][N+](=O)c1ccc(cc1C(=O)OCC)Br
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1sc2c(-c3c(C2)cccc3)n1
Complexity: 209
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1sc2c(-c3c(C2)cccc3)n1
Complexity:
209
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(CCC(=N)N)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CC(CCC(=N)N)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc(c2c1cc(cc2)S(=O)(=O)O)S(=O)(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc(c2c1cc(cc2)S(=O)(=O)O)S(=O)(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__