AB46495
185629-31-6 | Methyl 3-fluoro-4-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB46495
ChemicalName
Methyl 3-fluoro-4-nitrobenzoate
CasNumber
185629-31-6
MolecularFormula
C8H6FNO4
MolecularWeight
199.1359
MdlNumber
MFCD08444027
Smiles
COC(=O)c1ccc(c(c1)F)[N+](=O)[O-]
Complexity
240
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AB46495
ChemicalName: Methyl 3-fluoro-4-nitrobenzoate
CasNumber: 185629-31-6
MolecularFormula: C8H6FNO4
MolecularWeight: 199.1359
MdlNumber: MFCD08444027
Smiles: COC(=O)c1ccc(c(c1)F)[N+](=O)[O-]
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AB46495
ChemicalName:
Methyl 3-fluoro-4-nitrobenzoate
CasNumber:
185629-31-6
MolecularFormula:
C8H6FNO4
MolecularWeight:
199.1359
MdlNumber:
MFCD08444027
Smiles:
COC(=O)c1ccc(c(c1)F)[N+](=O)[O-]
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: AB46496
ChemicalName: Methyl 3-fluoropicolinate
CasNumber: 869108-35-0
MolecularFormula: C7H6FNO2
MolecularWeight: 155.1264
MdlNumber: MFCD06659496
Smiles: COC(=O)c1ncccc1F
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AB46496
ChemicalName:
Methyl 3-fluoropicolinate
CasNumber:
869108-35-0
MolecularFormula:
C7H6FNO2
MolecularWeight:
155.1264
MdlNumber:
MFCD06659496
Smiles:
COC(=O)c1ncccc1F
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
1.1
CatalogNumber: AB46497
ChemicalName: methyl 3-formyl-5-methoxybenzoate
CasNumber: 69026-10-4
MolecularFormula: C10H10O4
MolecularWeight: 194.184
MdlNumber: MFCD11045770
Smiles: COc1cc(C=O)cc(c1)C(=O)OC
Complexity: 214
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 1.2
CatalogNumber:
AB46497
ChemicalName:
methyl 3-formyl-5-methoxybenzoate
CasNumber:
69026-10-4
MolecularFormula:
C10H10O4
MolecularWeight:
194.184
MdlNumber:
MFCD11045770
Smiles:
COc1cc(C=O)cc(c1)C(=O)OC
Complexity:
214
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
1.2
CatalogNumber: AB46498
ChemicalName: Methyl 3-hydroxy-2-nitrobenzoate
CasNumber: 89942-77-8
MolecularFormula: C8H7NO5
MolecularWeight: 197.1449
MdlNumber: MFCD00013676
Smiles: [O-][N+](=O)c1c(cccc1O)C(=O)OC
Complexity: 236
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AB46498
ChemicalName:
Methyl 3-hydroxy-2-nitrobenzoate
CasNumber:
89942-77-8
MolecularFormula:
C8H7NO5
MolecularWeight:
197.1449
MdlNumber:
MFCD00013676
Smiles:
[O-][N+](=O)c1c(cccc1O)C(=O)OC
Complexity:
236
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
1.9