AF31761
27237-21-4 | 3-(4-Nitrophenoxy)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AF31761
ChemicalName
3-(4-Nitrophenoxy)benzoic acid
CasNumber
27237-21-4
MolecularFormula
C13H9NO5
MolecularWeight
259.2143
MdlNumber
MFCD00690134
Smiles
[O-][N+](=O)c1ccc(cc1)Oc1cccc(c1)C(=O)O
Complexity
332
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.7
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CatalogNumber: AF31761
ChemicalName: 3-(4-Nitrophenoxy)benzoic acid
CasNumber: 27237-21-4
MolecularFormula: C13H9NO5
MolecularWeight: 259.2143
MdlNumber: MFCD00690134
Smiles: [O-][N+](=O)c1ccc(cc1)Oc1cccc(c1)C(=O)O
Complexity: 332
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.7
CatalogNumber:
AF31761
ChemicalName:
3-(4-Nitrophenoxy)benzoic acid
CasNumber:
27237-21-4
MolecularFormula:
C13H9NO5
MolecularWeight:
259.2143
MdlNumber:
MFCD00690134
Smiles:
[O-][N+](=O)c1ccc(cc1)Oc1cccc(c1)C(=O)O
Complexity:
332
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1c(N)sc2c1CCN(C2)C(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
CCOC(=O)c1c(N)sc2c1CCN(C2)C(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1(N)CCN(CC1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
COC(=O)C1(N)CCN(CC1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)CC(=O)c1ccccc1Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CC(=O)c1ccccc1Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__