AI50359
431-47-0 | Methyl 2,2,2-trifluoroacetate
Manufacturer: A2B Chem
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CatalogNumber
AI50359
ChemicalName
Methyl 2,2,2-trifluoroacetate
CasNumber
431-47-0
MolecularFormula
C3H3F3O2
MolecularWeight
128.04992959999998
MdlNumber
MFCD00000417
Smiles
COC(=O)C(F)(F)F
Complexity
95.2
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
5
RotatableBondCount
1
Xlogp3
0.6
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CatalogNumber: AI50359
ChemicalName: Methyl 2,2,2-trifluoroacetate
CasNumber: 431-47-0
MolecularFormula: C3H3F3O2
MolecularWeight: 128.04992959999998
MdlNumber: MFCD00000417
Smiles: COC(=O)C(F)(F)F
Complexity: 95.2
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 0.6
CatalogNumber:
AI50359
ChemicalName:
Methyl 2,2,2-trifluoroacetate
CasNumber:
431-47-0
MolecularFormula:
C3H3F3O2
MolecularWeight:
128.04992959999998
MdlNumber:
MFCD00000417
Smiles:
COC(=O)C(F)(F)F
Complexity:
95.2
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
0.6
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ChemicalName: __
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Smiles: O=C(C(Br)(Br)Br)C(F)(F)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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Smiles:
O=C(C(Br)(Br)Br)C(F)(F)F
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
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Smiles: O=C1Nc2c(C1)cc(cn2)[N+](=O)[O-]
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__
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MolecularFormula:
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Smiles:
O=C1Nc2c(C1)cc(cn2)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: N#Cc1cccc(c1)C(=O)Cn1ccnc1C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
N#Cc1cccc(c1)C(=O)Cn1ccnc1C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__