AB46494
676602-31-6 | Methyl 3-cyano-4-fluorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB46494
ChemicalName
Methyl 3-cyano-4-fluorobenzoate
CasNumber
676602-31-6
MolecularFormula
C9H6FNO2
MolecularWeight
179.1478
MdlNumber
MFCD06203915
Smiles
COC(=O)c1ccc(c(c1)C#N)F
Complexity
245
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AB46494
ChemicalName: Methyl 3-cyano-4-fluorobenzoate
CasNumber: 676602-31-6
MolecularFormula: C9H6FNO2
MolecularWeight: 179.1478
MdlNumber: MFCD06203915
Smiles: COC(=O)c1ccc(c(c1)C#N)F
Complexity: 245
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AB46494
ChemicalName:
Methyl 3-cyano-4-fluorobenzoate
CasNumber:
676602-31-6
MolecularFormula:
C9H6FNO2
MolecularWeight:
179.1478
MdlNumber:
MFCD06203915
Smiles:
COC(=O)c1ccc(c(c1)C#N)F
Complexity:
245
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
1.6
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