AA94467
175596-01-7 | Methyl 4-cyano-2-fluorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AA94467
ChemicalName
Methyl 4-cyano-2-fluorobenzoate
CasNumber
175596-01-7
MolecularFormula
C9H6FNO2
MolecularWeight
179.1478
MdlNumber
MFCD04335187
Smiles
COC(=O)c1ccc(cc1F)C#N
Complexity
245
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
1.5
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CatalogNumber: AA94467
ChemicalName: Methyl 4-cyano-2-fluorobenzoate
CasNumber: 175596-01-7
MolecularFormula: C9H6FNO2
MolecularWeight: 179.1478
MdlNumber: MFCD04335187
Smiles: COC(=O)c1ccc(cc1F)C#N
Complexity: 245
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AA94467
ChemicalName:
Methyl 4-cyano-2-fluorobenzoate
CasNumber:
175596-01-7
MolecularFormula:
C9H6FNO2
MolecularWeight:
179.1478
MdlNumber:
MFCD04335187
Smiles:
COC(=O)c1ccc(cc1F)C#N
Complexity:
245
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
1.5
CatalogNumber: AA94468
ChemicalName: 2-Formylthiophene-4-boronic acid
CasNumber: 175592-59-3
MolecularFormula: C5H5BO3S
MolecularWeight: 155.9674
MdlNumber: MFCD03002365
Smiles: O=Cc1scc(c1)B(O)O
Complexity: 130
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AA94468
ChemicalName:
2-Formylthiophene-4-boronic acid
CasNumber:
175592-59-3
MolecularFormula:
C5H5BO3S
MolecularWeight:
155.9674
MdlNumber:
MFCD03002365
Smiles:
O=Cc1scc(c1)B(O)O
Complexity:
130
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC[C@@H](c1cccc(c1)OC)[C@H](CN(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC[C@@H](c1cccc(c1)OC)[C@H](CN(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC[C@](c1cccc(c1)OC)([C@@H](CN(C)C)C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC[C@](c1cccc(c1)OC)([C@@H](CN(C)C)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__