AD13195
95096-06-3 | 3-[3-(Trifluoromethyl)phenyl]propanenitrile
Manufacturer: A2B Chem
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CatalogNumber
AD13195
ChemicalName
3-[3-(Trifluoromethyl)phenyl]propanenitrile
CasNumber
95096-06-3
MolecularFormula
C10H8F3N
MolecularWeight
199.1724
MdlNumber
MFCD04973009
Smiles
N#CCCc1cccc(c1)C(F)(F)F
Complexity
225
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
2.8
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CatalogNumber: AD13195
ChemicalName: 3-[3-(Trifluoromethyl)phenyl]propanenitrile
CasNumber: 95096-06-3
MolecularFormula: C10H8F3N
MolecularWeight: 199.1724
MdlNumber: MFCD04973009
Smiles: N#CCCc1cccc(c1)C(F)(F)F
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AD13195
ChemicalName:
3-[3-(Trifluoromethyl)phenyl]propanenitrile
CasNumber:
95096-06-3
MolecularFormula:
C10H8F3N
MolecularWeight:
199.1724
MdlNumber:
MFCD04973009
Smiles:
N#CCCc1cccc(c1)C(F)(F)F
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.8
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: OCCc1c(C)nc(n(c1=O)N)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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Smiles:
OCCc1c(C)nc(n(c1=O)N)N
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: COc1ccccc1OCCNC[C@@H](COc1cccc2c1c1ccccc1[nH]2)O
Complexity: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
COc1ccccc1OCCNC[C@@H](COc1cccc2c1c1ccccc1[nH]2)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CCCCCCC(=N)N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCCCCCC(=N)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__