AI63011
943150-79-6 | 4-(3-Methoxypropoxy)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI63011
ChemicalName
4-(3-Methoxypropoxy)benzonitrile
CasNumber
943150-79-6
MolecularFormula
C11H13NO2
MolecularWeight
191.2264
MdlNumber
MFCD11531994
Smiles
COCCCOc1ccc(cc1)C#N
Complexity
189
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
5
Xlogp3
1.8
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CatalogNumber: AI63011
ChemicalName: 4-(3-Methoxypropoxy)benzonitrile
CasNumber: 943150-79-6
MolecularFormula: C11H13NO2
MolecularWeight: 191.2264
MdlNumber: MFCD11531994
Smiles: COCCCOc1ccc(cc1)C#N
Complexity: 189
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: 1.8
CatalogNumber:
AI63011
ChemicalName:
4-(3-Methoxypropoxy)benzonitrile
CasNumber:
943150-79-6
MolecularFormula:
C11H13NO2
MolecularWeight:
191.2264
MdlNumber:
MFCD11531994
Smiles:
COCCCOc1ccc(cc1)C#N
Complexity:
189
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
1.8
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Smiles: Cc1nn(c(c1S(=O)(=O)Cl)C)C(F)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
Cc1nn(c(c1S(=O)(=O)Cl)C)C(F)F
Complexity:
__
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__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: COc1cc(OC)c(c(c1Cl)NC(=O)C)Cl
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Smiles:
COc1cc(OC)c(c(c1Cl)NC(=O)C)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CC[N+]1=C(/C=C/C=C/C=C/C=C/2\N(CCCCCC(=O)O)c3c(C2(C)C)cc(cc3)S(=O)(=O)O)C(c2c1ccc(c2)S(=O)(=O)[O-])(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CC[N+]1=C(/C=C/C=C/C=C/C=C/2\N(CCCCCC(=O)O)c3c(C2(C)C)cc(cc3)S(=O)(=O)O)C(c2c1ccc(c2)S(=O)(=O)[O-])(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__