AI15931
1246090-95-8 | (E)-Methyl 3-(6-cyano-5-fluoropyridin-3-yl)-acrylate
Manufacturer: A2B Chem
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CatalogNumber
AI15931
ChemicalName
(E)-Methyl 3-(6-cyano-5-fluoropyridin-3-yl)-acrylate
CasNumber
1246090-95-8
MolecularFormula
C10H7FN2O2
MolecularWeight
206.1732
MdlNumber
MFCD17171330
Smiles
COC(=O)/C=C/c1cnc(c(c1)F)C#N
Complexity
308
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
RotatableBondCount
3
Xlogp3
1.3
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CatalogNumber: AI15931
ChemicalName: (E)-Methyl 3-(6-cyano-5-fluoropyridin-3-yl)-acrylate
CasNumber: 1246090-95-8
MolecularFormula: C10H7FN2O2
MolecularWeight: 206.1732
MdlNumber: MFCD17171330
Smiles: COC(=O)/C=C/c1cnc(c(c1)F)C#N
Complexity: 308
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AI15931
ChemicalName:
(E)-Methyl 3-(6-cyano-5-fluoropyridin-3-yl)-acrylate
CasNumber:
1246090-95-8
MolecularFormula:
C10H7FN2O2
MolecularWeight:
206.1732
MdlNumber:
MFCD17171330
Smiles:
COC(=O)/C=C/c1cnc(c(c1)F)C#N
Complexity:
308
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
1.3
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Smiles: O/N=C/c1ccnc2c1OCCO2
Complexity: __
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HeavyAtomCount: __
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Smiles:
O/N=C/c1ccnc2c1OCCO2
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HeavyAtomCount:
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Smiles: O=C(N1CCc2c(C1)cc(c(c2)F)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity: __
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Smiles:
O=C(N1CCc2c(C1)cc(c(c2)F)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: COC(=O)c1csc2c1ncnc2Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1csc2c1ncnc2Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__