AE61104
1360934-51-5 | Methyl 2-chloro-5-(trifluoromethyl)nicotinate
Manufacturer: A2B Chem
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CatalogNumber
AE61104
ChemicalName
Methyl 2-chloro-5-(trifluoromethyl)nicotinate
CasNumber
1360934-51-5
MolecularFormula
C8H5ClF3NO2
MolecularWeight
239.57900959999992
MdlNumber
MFCD22559950
Smiles
COC(=O)c1cc(cnc1Cl)C(F)(F)F
Complexity
247
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AE61104
ChemicalName: Methyl 2-chloro-5-(trifluoromethyl)nicotinate
CasNumber: 1360934-51-5
MolecularFormula: C8H5ClF3NO2
MolecularWeight: 239.57900959999992
MdlNumber: MFCD22559950
Smiles: COC(=O)c1cc(cnc1Cl)C(F)(F)F
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AE61104
ChemicalName:
Methyl 2-chloro-5-(trifluoromethyl)nicotinate
CasNumber:
1360934-51-5
MolecularFormula:
C8H5ClF3NO2
MolecularWeight:
239.57900959999992
MdlNumber:
MFCD22559950
Smiles:
COC(=O)c1cc(cnc1Cl)C(F)(F)F
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
RotatableBondCount:
2
Xlogp3:
2.6
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: CCC1(C)CC(=O)CC(N1)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
CCC1(C)CC(=O)CC(N1)(C)C
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1OC(=O)C)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1OC(=O)C)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=CCCc1c(C)ccc2c1C(=O)C(=C(C2=O)C(C)C)O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=CCCc1c(C)ccc2c1C(=O)C(=C(C2=O)C(C)C)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__