AA86029
1639042-39-9 | Methyl (e)-3-(3,5-difluoro-4-formylphenyl)acrylate
Manufacturer: A2B Chem
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CatalogNumber
AA86029
ChemicalName
Methyl (e)-3-(3,5-difluoro-4-formylphenyl)acrylate
CasNumber
1639042-39-9
MolecularFormula
C11H8F2O3
MolecularWeight
226.1762
MdlNumber
MFCD29905622
Smiles
COC(=O)/C=C/c1cc(F)c(c(c1)F)C=O
Complexity
279
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
RotatableBondCount
4
Xlogp3
1.9
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CatalogNumber: AA86029
ChemicalName: Methyl (e)-3-(3,5-difluoro-4-formylphenyl)acrylate
CasNumber: 1639042-39-9
MolecularFormula: C11H8F2O3
MolecularWeight: 226.1762
MdlNumber: MFCD29905622
Smiles: COC(=O)/C=C/c1cc(F)c(c(c1)F)C=O
Complexity: 279
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: 1.9
CatalogNumber:
AA86029
ChemicalName:
Methyl (e)-3-(3,5-difluoro-4-formylphenyl)acrylate
CasNumber:
1639042-39-9
MolecularFormula:
C11H8F2O3
MolecularWeight:
226.1762
MdlNumber:
MFCD29905622
Smiles:
COC(=O)/C=C/c1cc(F)c(c(c1)F)C=O
Complexity:
279
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
1.9
CatalogNumber: AA86030
ChemicalName: AZD9496
CasNumber: 1639042-08-2
MolecularFormula: C25H25F3N2O2
MolecularWeight: 442.4734
MdlNumber: MFCD28902195
Smiles: OC(=O)/C=C/c1cc(F)c(c(c1)F)[C@H]1N(CC(F)(C)C)[C@H](C)Cc2c1[nH]c1c2cccc1
Complexity: 705
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 6
RotatableBondCount: 5
Xlogp3: 2.9
CatalogNumber:
AA86030
ChemicalName:
AZD9496
CasNumber:
1639042-08-2
MolecularFormula:
C25H25F3N2O2
MolecularWeight:
442.4734
MdlNumber:
MFCD28902195
Smiles:
OC(=O)/C=C/c1cc(F)c(c(c1)F)[C@H]1N(CC(F)(C)C)[C@H](C)Cc2c1[nH]c1c2cccc1
Complexity:
705
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
6
RotatableBondCount:
5
Xlogp3:
2.9
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Smiles: S=C=N[C@H]1CCN(C1)c1ccc(c2c1non2)[N+](=O)[O-]
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Smiles:
S=C=N[C@H]1CCN(C1)c1ccc(c2c1non2)[N+](=O)[O-]
Complexity:
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Smiles: S=C=N[C@@H]1CCN(C1)c1ccc(c2c1non2)[N+](=O)[O-]
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MolecularFormula:
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MdlNumber:
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Smiles:
S=C=N[C@@H]1CCN(C1)c1ccc(c2c1non2)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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