AA90635
168473-87-8 | Ethyl 4-bromo-3-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AA90635
ChemicalName
Ethyl 4-bromo-3-nitrobenzoate
CasNumber
168473-87-8
MolecularFormula
C9H8BrNO4
MolecularWeight
274.0681
MdlNumber
MFCD09972120
Smiles
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])Br
Complexity
253
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
2.7
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CatalogNumber: AA90635
ChemicalName: Ethyl 4-bromo-3-nitrobenzoate
CasNumber: 168473-87-8
MolecularFormula: C9H8BrNO4
MolecularWeight: 274.0681
MdlNumber: MFCD09972120
Smiles: CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])Br
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AA90635
ChemicalName:
Ethyl 4-bromo-3-nitrobenzoate
CasNumber:
168473-87-8
MolecularFormula:
C9H8BrNO4
MolecularWeight:
274.0681
MdlNumber:
MFCD09972120
Smiles:
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])Br
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.7
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Smiles: O=C(N[C@@H](C(=O)O)Cc1cn(c2c1cccc2)C)OCC1c2ccccc2-c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C(N[C@@H](C(=O)O)Cc1cn(c2c1cccc2)C)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
__
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Smiles: SCC(=O)OC1CCCCC1
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Smiles:
SCC(=O)OC1CCCCC1
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: C[C@H](c1ccccc1)NC(=O)N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
C[C@H](c1ccccc1)NC(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__