AF71090
40258-72-8 | Methyl 3-bromo-4-hydroxy-5-nitrobenzenecarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AF71090
ChemicalName
Methyl 3-bromo-4-hydroxy-5-nitrobenzenecarboxylate
CasNumber
40258-72-8
MolecularFormula
C8H6BrNO5
MolecularWeight
276.0409
MdlNumber
MFCD08689690
Smiles
COC(=O)c1cc(Br)c(c(c1)[N+](=O)[O-])O
Complexity
266
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.5
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CatalogNumber: AF71090
ChemicalName: Methyl 3-bromo-4-hydroxy-5-nitrobenzenecarboxylate
CasNumber: 40258-72-8
MolecularFormula: C8H6BrNO5
MolecularWeight: 276.0409
MdlNumber: MFCD08689690
Smiles: COC(=O)c1cc(Br)c(c(c1)[N+](=O)[O-])O
Complexity: 266
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AF71090
ChemicalName:
Methyl 3-bromo-4-hydroxy-5-nitrobenzenecarboxylate
CasNumber:
40258-72-8
MolecularFormula:
C8H6BrNO5
MolecularWeight:
276.0409
MdlNumber:
MFCD08689690
Smiles:
COC(=O)c1cc(Br)c(c(c1)[N+](=O)[O-])O
Complexity:
266
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: CCN(C(=O)C1CCNCC1)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCN(C(=O)C1CCNCC1)Cc1ccccc1
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CSCc1nnn[nH]1
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Smiles:
CSCc1nnn[nH]1
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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Smiles: COc1coc(cc1=O)CCl
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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:
COc1coc(cc1=O)CCl
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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