AC58139
79538-30-0 | Methyl 2,6-difluoro-4-methylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AC58139
ChemicalName
Methyl 2,6-difluoro-4-methylbenzoate
CasNumber
79538-30-0
MolecularFormula
C9H8F2O2
MolecularWeight
186.1554
MdlNumber
MFCD23135649
Smiles
COC(=O)c1c(F)cc(cc1F)C
Complexity
184
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
2.3
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CatalogNumber: AC58139
ChemicalName: Methyl 2,6-difluoro-4-methylbenzoate
CasNumber: 79538-30-0
MolecularFormula: C9H8F2O2
MolecularWeight: 186.1554
MdlNumber: MFCD23135649
Smiles: COC(=O)c1c(F)cc(cc1F)C
Complexity: 184
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AC58139
ChemicalName:
Methyl 2,6-difluoro-4-methylbenzoate
CasNumber:
79538-30-0
MolecularFormula:
C9H8F2O2
MolecularWeight:
186.1554
MdlNumber:
MFCD23135649
Smiles:
COC(=O)c1c(F)cc(cc1F)C
Complexity:
184
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C(Cl)(F)F)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C(Cl)(F)F)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)C(O)C.[O-]C(=O)C(O)C.[O-]C(=O)C(O)C.[O-]C(=O)C(O)C.[Ti+4]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(=O)C(O)C.[O-]C(=O)C(O)C.[O-]C(=O)C(O)C.[O-]C(=O)C(O)C.[Ti+4]
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
__
CatalogNumber: AC58157
ChemicalName: 2-Cyano-3-fluorophenylboronic acid pinacol ester
CasNumber: 765916-91-4
MolecularFormula: C13H15BFNO2
MolecularWeight: 247.0731
MdlNumber: MFCD09878541
Smiles: N#Cc1c(cccc1F)B1OC(C(O1)(C)C)(C)C
Complexity: 360
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AC58157
ChemicalName:
2-Cyano-3-fluorophenylboronic acid pinacol ester
CasNumber:
765916-91-4
MolecularFormula:
C13H15BFNO2
MolecularWeight:
247.0731
MdlNumber:
MFCD09878541
Smiles:
N#Cc1c(cccc1F)B1OC(C(O1)(C)C)(C)C
Complexity:
360
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
__