AG64598
640769-70-6 | 3-Pyrimidin-5-ylbenzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AG64598
ChemicalName
3-Pyrimidin-5-ylbenzaldehyde
CasNumber
640769-70-6
MolecularFormula
C11H8N2O
MolecularWeight
184.194
MdlNumber
MFCD05864833
Smiles
O=Cc1cccc(c1)c1cncnc1
Complexity
190
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
1.3
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CatalogNumber: AG64598
ChemicalName: 3-Pyrimidin-5-ylbenzaldehyde
CasNumber: 640769-70-6
MolecularFormula: C11H8N2O
MolecularWeight: 184.194
MdlNumber: MFCD05864833
Smiles: O=Cc1cccc(c1)c1cncnc1
Complexity: 190
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AG64598
ChemicalName:
3-Pyrimidin-5-ylbenzaldehyde
CasNumber:
640769-70-6
MolecularFormula:
C11H8N2O
MolecularWeight:
184.194
MdlNumber:
MFCD05864833
Smiles:
O=Cc1cccc(c1)c1cncnc1
Complexity:
190
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: AG64599
ChemicalName: 7-Hydroxy-4-(trifluoromethyl)coumarin
CasNumber: 575-03-1
MolecularFormula: C10H5F3O3
MolecularWeight: 230.14010959999996
MdlNumber: MFCD00037578
Smiles: Oc1ccc2c(c1)oc(=O)cc2C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AG64599
ChemicalName:
7-Hydroxy-4-(trifluoromethyl)coumarin
CasNumber:
575-03-1
MolecularFormula:
C10H5F3O3
MolecularWeight:
230.14010959999996
MdlNumber:
MFCD00037578
Smiles:
Oc1ccc2c(c1)oc(=O)cc2C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc2c(cc1OC)C(=O)c1c(C2=O)cc(c(c1)OC)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc2c(cc1OC)C(=O)c1c(C2=O)cc(c(c1)OC)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Ic1cc2OCOc2cc1I
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Ic1cc2OCOc2cc1I
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__