AF04258
176034-07-4 | 3-(2-Pyrimidinyloxy)benzenecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AF04258
ChemicalName
3-(2-Pyrimidinyloxy)benzenecarboxylic acid
CasNumber
176034-07-4
MolecularFormula
C11H8N2O3
MolecularWeight
216.1928
MdlNumber
MFCD03791171
Smiles
C1=CC(=CC(=C1)OC2=NC=CC=N2)C(=O)O
Complexity
241
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.2
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CatalogNumber: AF04258
ChemicalName: 3-(2-Pyrimidinyloxy)benzenecarboxylic acid
CasNumber: 176034-07-4
MolecularFormula: C11H8N2O3
MolecularWeight: 216.1928
MdlNumber: MFCD03791171
Smiles: C1=CC(=CC(=C1)OC2=NC=CC=N2)C(=O)O
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AF04258
ChemicalName:
3-(2-Pyrimidinyloxy)benzenecarboxylic acid
CasNumber:
176034-07-4
MolecularFormula:
C11H8N2O3
MolecularWeight:
216.1928
MdlNumber:
MFCD03791171
Smiles:
C1=CC(=CC(=C1)OC2=NC=CC=N2)C(=O)O
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.2
CatalogNumber: __
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MolecularFormula: __
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Smiles: O=C1Nc2c(C31CCOCC3)cc(cc2)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C1Nc2c(C31CCOCC3)cc(cc2)F
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: __
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Smiles: O=C(NS(=O)(=O)Cl)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(NS(=O)(=O)Cl)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C)NC1=CC(=NC=C1C(=O)O)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C)NC1=CC(=NC=C1C(=O)O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__