AG74733
649736-31-2 | 1-(2-Fluoro-3-hydroxy-6-nitrophenyl)propan-2-one
Manufacturer: A2B Chem
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CatalogNumber
AG74733
ChemicalName
1-(2-Fluoro-3-hydroxy-6-nitrophenyl)propan-2-one
CasNumber
649736-31-2
MolecularFormula
C9H8FNO4
MolecularWeight
213.1625
MdlNumber
MFCD11869874
Smiles
CC(=O)Cc1c(ccc(c1F)O)[N+](=O)[O-]
Complexity
265
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.1
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CatalogNumber: AG74733
ChemicalName: 1-(2-Fluoro-3-hydroxy-6-nitrophenyl)propan-2-one
CasNumber: 649736-31-2
MolecularFormula: C9H8FNO4
MolecularWeight: 213.1625
MdlNumber: MFCD11869874
Smiles: CC(=O)Cc1c(ccc(c1F)O)[N+](=O)[O-]
Complexity: 265
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AG74733
ChemicalName:
1-(2-Fluoro-3-hydroxy-6-nitrophenyl)propan-2-one
CasNumber:
649736-31-2
MolecularFormula:
C9H8FNO4
MolecularWeight:
213.1625
MdlNumber:
MFCD11869874
Smiles:
CC(=O)Cc1c(ccc(c1F)O)[N+](=O)[O-]
Complexity:
265
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.1
CatalogNumber: __
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MolecularFormula: __
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Smiles: OC1CC2CC3(C1C1(C)CCCC(C1CC3)(C)C(=O)O)C(C2=C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
OC1CC2CC3(C1C1(C)CCCC(C1CC3)(C)C(=O)O)C(C2=C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: COc1ccc2c(c1)NC(=O)[C@@]12CCN2[C@H]1C[C@H]1[C@@H](C2)[C@H](C)OC=C1C(=O)OC
Complexity: __
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Smiles:
COc1ccc2c(c1)NC(=O)[C@@]12CCN2[C@H]1C[C@H]1[C@@H](C2)[C@H](C)OC=C1C(=O)OC
Complexity:
__
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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Smiles: CC1CC(=O)C=C(C12CCC(C2)C(C)(CO)O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1CC(=O)C=C(C12CCC(C2)C(C)(CO)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__