AC97998
67571-38-4 | Methyl 2-cyano-3-(2-fluorophenyl)propanoate
Manufacturer: A2B Chem
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CatalogNumber
AC97998
ChemicalName
Methyl 2-cyano-3-(2-fluorophenyl)propanoate
CasNumber
67571-38-4
MolecularFormula
C11H10FNO2
MolecularWeight
207.201
MdlNumber
MFCD19316085
Smiles
N#CC(C(=O)OC)Cc1ccccc1F
Complexity
271
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
2.1
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CatalogNumber: AC97998
ChemicalName: Methyl 2-cyano-3-(2-fluorophenyl)propanoate
CasNumber: 67571-38-4
MolecularFormula: C11H10FNO2
MolecularWeight: 207.201
MdlNumber: MFCD19316085
Smiles: N#CC(C(=O)OC)Cc1ccccc1F
Complexity: 271
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.1
CatalogNumber:
AC97998
ChemicalName:
Methyl 2-cyano-3-(2-fluorophenyl)propanoate
CasNumber:
67571-38-4
MolecularFormula:
C11H10FNO2
MolecularWeight:
207.201
MdlNumber:
MFCD19316085
Smiles:
N#CC(C(=O)OC)Cc1ccccc1F
Complexity:
271
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.1
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Smiles: CC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
CC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(O)C
Complexity:
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HeavyAtomCount:
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Smiles: OC(=O)CNC(=O)C(O)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
OC(=O)CNC(=O)C(O)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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Smiles: Cc1ccccc1c1cccnc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccccc1c1cccnc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__