AB31723
26586-20-9 | 3-Chloro-4-morpholinobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB31723
ChemicalName
3-Chloro-4-morpholinobenzoic acid
CasNumber
26586-20-9
MolecularFormula
C11H12ClNO3
MolecularWeight
241.67088000000004
MdlNumber
MFCD13191623
Smiles
Clc1cc(ccc1N1CCOCC1)C(=O)O
Complexity
256
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AB31723
ChemicalName: 3-Chloro-4-morpholinobenzoic acid
CasNumber: 26586-20-9
MolecularFormula: C11H12ClNO3
MolecularWeight: 241.67088000000004
MdlNumber: MFCD13191623
Smiles: Clc1cc(ccc1N1CCOCC1)C(=O)O
Complexity: 256
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AB31723
ChemicalName:
3-Chloro-4-morpholinobenzoic acid
CasNumber:
26586-20-9
MolecularFormula:
C11H12ClNO3
MolecularWeight:
241.67088000000004
MdlNumber:
MFCD13191623
Smiles:
Clc1cc(ccc1N1CCOCC1)C(=O)O
Complexity:
256
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: Nc1cc(ccc1N1CCOCC1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularWeight:
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Smiles:
Nc1cc(ccc1N1CCOCC1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: OC[C@H]([C@H]([C@@H]1O[C@@](C[C@@H]([C@H]1NC(=O)C)O)(Oc1cc2c([nH]1)ccc(c2Cl)Br)C(=O)O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]([C@H]([C@@H]1O[C@@](C[C@@H]([C@H]1NC(=O)C)O)(Oc1cc2c([nH]1)ccc(c2Cl)Br)C(=O)O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccccc1)N/C(=C(/c1ccccc1)Cl)/C(=O)N1CCCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccccc1)N/C(=C(/c1ccccc1)Cl)/C(=O)N1CCCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__