AF28310
216959-91-0 | 4-(Pyrimidin-5-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AF28310
ChemicalName
4-(Pyrimidin-5-yl)benzoic acid
CasNumber
216959-91-0
MolecularFormula
C11H8N2O2
MolecularWeight
200.1934
MdlNumber
MFCD05864811
Smiles
OC(=O)c1ccc(cc1)c1cncnc1
Complexity
219
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AF28310
ChemicalName: 4-(Pyrimidin-5-yl)benzoic acid
CasNumber: 216959-91-0
MolecularFormula: C11H8N2O2
MolecularWeight: 200.1934
MdlNumber: MFCD05864811
Smiles: OC(=O)c1ccc(cc1)c1cncnc1
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AF28310
ChemicalName:
4-(Pyrimidin-5-yl)benzoic acid
CasNumber:
216959-91-0
MolecularFormula:
C11H8N2O2
MolecularWeight:
200.1934
MdlNumber:
MFCD05864811
Smiles:
OC(=O)c1ccc(cc1)c1cncnc1
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClC(=O)C1CC2CC1C=C2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClC(=O)C1CC2CC1C=C2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@H]1CNCCN1C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@H]1CNCCN1C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC/C(=C(/N(Cc1cnc(nc1N)C)C=O)\C)/SSCC1CCCO1.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC/C(=C(/N(Cc1cnc(nc1N)C)C=O)\C)/SSCC1CCCO1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__