AB75776
455-68-5 | Methyl 3-fluorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB75776
ChemicalName
Methyl 3-fluorobenzoate
CasNumber
455-68-5
MolecularFormula
C8H7FO2
MolecularWeight
154.1384
MdlNumber
MFCD03094302
Smiles
COC(=O)c1cccc(c1)F
Complexity
147
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
2.3
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CatalogNumber: AB75776
ChemicalName: Methyl 3-fluorobenzoate
CasNumber: 455-68-5
MolecularFormula: C8H7FO2
MolecularWeight: 154.1384
MdlNumber: MFCD03094302
Smiles: COC(=O)c1cccc(c1)F
Complexity: 147
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AB75776
ChemicalName:
Methyl 3-fluorobenzoate
CasNumber:
455-68-5
MolecularFormula:
C8H7FO2
MolecularWeight:
154.1384
MdlNumber:
MFCD03094302
Smiles:
COC(=O)c1cccc(c1)F
Complexity:
147
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.3
CatalogNumber: AB75777
ChemicalName: 3'-Formylbiphenyl-4-carboxylic acid methyl ester
CasNumber: 221021-36-9
MolecularFormula: C15H12O3
MolecularWeight: 240.254
MdlNumber: MFCD04039122
Smiles: COC(=O)c1ccc(cc1)c1cccc(c1)C=O
Complexity: 292
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 2.9
CatalogNumber:
AB75777
ChemicalName:
3'-Formylbiphenyl-4-carboxylic acid methyl ester
CasNumber:
221021-36-9
MolecularFormula:
C15H12O3
MolecularWeight:
240.254
MdlNumber:
MFCD04039122
Smiles:
COC(=O)c1ccc(cc1)c1cccc(c1)C=O
Complexity:
292
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
2.9
CatalogNumber: AB75778
ChemicalName: Methyl 3-formyl-5-nitrobenzoate
CasNumber: 172899-78-4
MolecularFormula: C9H7NO5
MolecularWeight: 209.1556
MdlNumber: MFCD08275105
Smiles: O=Cc1cc(cc(c1)[N+](=O)[O-])C(=O)OC
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AB75778
ChemicalName:
Methyl 3-formyl-5-nitrobenzoate
CasNumber:
172899-78-4
MolecularFormula:
C9H7NO5
MolecularWeight:
209.1556
MdlNumber:
MFCD08275105
Smiles:
O=Cc1cc(cc(c1)[N+](=O)[O-])C(=O)OC
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
1.5
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Smiles: COC(=O)c1ccc2c(c1)[nH]cc2C=O
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Smiles:
COC(=O)c1ccc2c(c1)[nH]cc2C=O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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