AD27972
204078-31-9 | 3-Morpholin-4-ylbenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AD27972
ChemicalName
3-Morpholin-4-ylbenzonitrile
CasNumber
204078-31-9
MolecularFormula
C11H12N2O
MolecularWeight
188.2258
MdlNumber
MFCD07368523
Smiles
N#Cc1cccc(c1)N1CCOCC1
Complexity
227
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
1.1
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CatalogNumber: AD27972
ChemicalName: 3-Morpholin-4-ylbenzonitrile
CasNumber: 204078-31-9
MolecularFormula: C11H12N2O
MolecularWeight: 188.2258
MdlNumber: MFCD07368523
Smiles: N#Cc1cccc(c1)N1CCOCC1
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AD27972
ChemicalName:
3-Morpholin-4-ylbenzonitrile
CasNumber:
204078-31-9
MolecularFormula:
C11H12N2O
MolecularWeight:
188.2258
MdlNumber:
MFCD07368523
Smiles:
N#Cc1cccc(c1)N1CCOCC1
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
1.1
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Smiles: OC(=O)c1[nH]cc2c1CCCC2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
OC(=O)c1[nH]cc2c1CCCC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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Smiles: CC1CCN=C(S1)N.Cl
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__
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MolecularWeight:
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Smiles:
CC1CCN=C(S1)N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=C(N1Cc2cc(O)ccc2C[C@@H]1C(=O)O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1Cc2cc(O)ccc2C[C@@H]1C(=O)O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__