AG65773
56723-86-5 | 3-Methoxy-5-(trifluoromethyl)benzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AG65773
ChemicalName
3-Methoxy-5-(trifluoromethyl)benzaldehyde
CasNumber
56723-86-5
MolecularFormula
C9H7F3O2
MolecularWeight
204.1459
MdlNumber
MFCD08458144
Smiles
COc1cc(C=O)cc(c1)C(F)(F)F
Complexity
203
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AG65773
ChemicalName: 3-Methoxy-5-(trifluoromethyl)benzaldehyde
CasNumber: 56723-86-5
MolecularFormula: C9H7F3O2
MolecularWeight: 204.1459
MdlNumber: MFCD08458144
Smiles: COc1cc(C=O)cc(c1)C(F)(F)F
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AG65773
ChemicalName:
3-Methoxy-5-(trifluoromethyl)benzaldehyde
CasNumber:
56723-86-5
MolecularFormula:
C9H7F3O2
MolecularWeight:
204.1459
MdlNumber:
MFCD08458144
Smiles:
COc1cc(C=O)cc(c1)C(F)(F)F
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
2.2
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Smiles: CSc1nc(SC)nc(n1)SC
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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Smiles:
CSc1nc(SC)nc(n1)SC
Complexity:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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Smiles: S=C1NCCCCN1
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Smiles:
S=C1NCCCCN1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CC1=C(C(=C(C(=C1C)C)C(=O)C(C(C2=CC=CC=C2)Br)Br)C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CC1=C(C(=C(C(=C1C)C)C(=O)C(C(C2=CC=CC=C2)Br)Br)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__