AG31898
5043-79-8 | Methyl 5-chloro-2-hydroxy-3-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AG31898
ChemicalName
Methyl 5-chloro-2-hydroxy-3-nitrobenzoate
CasNumber
5043-79-8
MolecularFormula
C8H6ClNO5
MolecularWeight
231.5899
MdlNumber
MFCD00458678
Smiles
COC(=O)c1cc(Cl)cc(c1O)[N+](=O)[O-]
NscNumber
37265
Complexity
266
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.4
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CatalogNumber: AG31898
ChemicalName: Methyl 5-chloro-2-hydroxy-3-nitrobenzoate
CasNumber: 5043-79-8
MolecularFormula: C8H6ClNO5
MolecularWeight: 231.5899
MdlNumber: MFCD00458678
Smiles: COC(=O)c1cc(Cl)cc(c1O)[N+](=O)[O-]
NscNumber: 37265
Complexity: 266
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AG31898
ChemicalName:
Methyl 5-chloro-2-hydroxy-3-nitrobenzoate
CasNumber:
5043-79-8
MolecularFormula:
C8H6ClNO5
MolecularWeight:
231.5899
MdlNumber:
MFCD00458678
Smiles:
COC(=O)c1cc(Cl)cc(c1O)[N+](=O)[O-]
NscNumber:
37265
Complexity:
266
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: __
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Smiles: CCOc1ccc(cc1)CC=O
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Complexity: __
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HeavyAtomCount: __
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Xlogp3: __
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Smiles:
CCOc1ccc(cc1)CC=O
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Smiles: ClCCCCC(C(=O)O)Cl
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Smiles:
ClCCCCC(C(=O)O)Cl
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HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O=C/C=C/c1ccc(o1)[N+](=O)[O-]
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C/C=C/c1ccc(o1)[N+](=O)[O-]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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