AB75976
393-85-1 | Methyl 5-fluoro-2-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB75976
ChemicalName
Methyl 5-fluoro-2-nitrobenzoate
CasNumber
393-85-1
MolecularFormula
C8H6FNO4
MolecularWeight
199.1359
MdlNumber
MFCD03425619
Smiles
[O-][N+](=O)c1ccc(cc1C(=O)OC)F
Complexity
240
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AB75976
ChemicalName: Methyl 5-fluoro-2-nitrobenzoate
CasNumber: 393-85-1
MolecularFormula: C8H6FNO4
MolecularWeight: 199.1359
MdlNumber: MFCD03425619
Smiles: [O-][N+](=O)c1ccc(cc1C(=O)OC)F
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AB75976
ChemicalName:
Methyl 5-fluoro-2-nitrobenzoate
CasNumber:
393-85-1
MolecularFormula:
C8H6FNO4
MolecularWeight:
199.1359
MdlNumber:
MFCD03425619
Smiles:
[O-][N+](=O)c1ccc(cc1C(=O)OC)F
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: AB75977
ChemicalName: Methyl 5-formylsalicylate
CasNumber: 41489-76-3
MolecularFormula: C9H8O4
MolecularWeight: 180.1574
MdlNumber: MFCD03840784
Smiles: COC(=O)c1cc(C=O)ccc1O
Complexity: 202
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AB75977
ChemicalName:
Methyl 5-formylsalicylate
CasNumber:
41489-76-3
MolecularFormula:
C9H8O4
MolecularWeight:
180.1574
MdlNumber:
MFCD03840784
Smiles:
COC(=O)c1cc(C=O)ccc1O
Complexity:
202
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
1.8
CatalogNumber: AB75978
ChemicalName: Methyl 5-formyl-2-methoxybenzoate
CasNumber: 78515-16-9
MolecularFormula: C10H10O4
MolecularWeight: 194.184
MdlNumber: MFCD10565654
Smiles: O=Cc1ccc(c(c1)C(=O)OC)OC
Complexity: 214
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 1.5
CatalogNumber:
AB75978
ChemicalName:
Methyl 5-formyl-2-methoxybenzoate
CasNumber:
78515-16-9
MolecularFormula:
C10H10O4
MolecularWeight:
194.184
MdlNumber:
MFCD10565654
Smiles:
O=Cc1ccc(c(c1)C(=O)OC)OC
Complexity:
214
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
1.5
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Smiles: COC(=O)c1ccc(s1)C=O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
COC(=O)c1ccc(s1)C=O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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