AD26851
134599-45-4 | 4-(2-Morpholin-4-yl-ethoxy)-benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD26851
ChemicalName
4-(2-Morpholin-4-yl-ethoxy)-benzoic acid
CasNumber
134599-45-4
MolecularFormula
C13H17NO4
MolecularWeight
251.2784
MdlNumber
MFCD06797240
Smiles
OC(=O)c1ccc(cc1)OCCN1CCOCC1
Complexity
258
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
-1.2
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CatalogNumber: AD26851
ChemicalName: 4-(2-Morpholin-4-yl-ethoxy)-benzoic acid
CasNumber: 134599-45-4
MolecularFormula: C13H17NO4
MolecularWeight: 251.2784
MdlNumber: MFCD06797240
Smiles: OC(=O)c1ccc(cc1)OCCN1CCOCC1
Complexity: 258
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: -1.2
CatalogNumber:
AD26851
ChemicalName:
4-(2-Morpholin-4-yl-ethoxy)-benzoic acid
CasNumber:
134599-45-4
MolecularFormula:
C13H17NO4
MolecularWeight:
251.2784
MdlNumber:
MFCD06797240
Smiles:
OC(=O)c1ccc(cc1)OCCN1CCOCC1
Complexity:
258
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
-1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(c1ccccc1OC[C@@H]1CO1)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(c1ccccc1OC[C@@H]1CO1)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccccc1c1nc2c(o1)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccccc1c1nc2c(o1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD26856
ChemicalName: Methyl 3-bromo-6-chloropyrazine-2-carboxylate
CasNumber: 13457-28-8
MolecularFormula: C6H4BrClN2O2
MolecularWeight: 251.4652
MdlNumber: MFCD13195362
Smiles: COC(=O)c1nc(Cl)cnc1Br
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AD26856
ChemicalName:
Methyl 3-bromo-6-chloropyrazine-2-carboxylate
CasNumber:
13457-28-8
MolecularFormula:
C6H4BrClN2O2
MolecularWeight:
251.4652
MdlNumber:
MFCD13195362
Smiles:
COC(=O)c1nc(Cl)cnc1Br
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2