AH88696
868167-61-7 | 3-Methoxy-5-(trifluoromethyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AH88696
ChemicalName
3-Methoxy-5-(trifluoromethyl)benzonitrile
CasNumber
868167-61-7
MolecularFormula
C9H6F3NO
MolecularWeight
201.1452
MdlNumber
MFCD08458145
Smiles
COc1cc(C#N)cc(c1)C(F)(F)F
Complexity
242
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
RotatableBondCount
1
Xlogp3
2.5
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CatalogNumber: AH88696
ChemicalName: 3-Methoxy-5-(trifluoromethyl)benzonitrile
CasNumber: 868167-61-7
MolecularFormula: C9H6F3NO
MolecularWeight: 201.1452
MdlNumber: MFCD08458145
Smiles: COc1cc(C#N)cc(c1)C(F)(F)F
Complexity: 242
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AH88696
ChemicalName:
3-Methoxy-5-(trifluoromethyl)benzonitrile
CasNumber:
868167-61-7
MolecularFormula:
C9H6F3NO
MolecularWeight:
201.1452
MdlNumber:
MFCD08458145
Smiles:
COc1cc(C#N)cc(c1)C(F)(F)F
Complexity:
242
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)Nc1ccc(cc1)Nc1ccc(cc1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CC(=O)Nc1ccc(cc1)Nc1ccc(cc1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccccc1CN1CCCC1)C1CCC1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
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Smiles:
O=C(c1ccccc1CN1CCCC1)C1CCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)CCCCCCC(=O)c1cccc(c1)CN1CCOCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)CCCCCCC(=O)c1cccc(c1)CN1CCOCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__