AF87915
40757-12-8 | Methyl 5-cyano-2-methoxybenzoate
Manufacturer: A2B Chem
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CatalogNumber
AF87915
ChemicalName
Methyl 5-cyano-2-methoxybenzoate
CasNumber
40757-12-8
MolecularFormula
C10H9NO3
MolecularWeight
191.1834
MdlNumber
MFCD11044990
Smiles
N#Cc1ccc(c(c1)C(=O)OC)OC
Complexity
255
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
1.8
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CatalogNumber: AF87915
ChemicalName: Methyl 5-cyano-2-methoxybenzoate
CasNumber: 40757-12-8
MolecularFormula: C10H9NO3
MolecularWeight: 191.1834
MdlNumber: MFCD11044990
Smiles: N#Cc1ccc(c(c1)C(=O)OC)OC
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AF87915
ChemicalName:
Methyl 5-cyano-2-methoxybenzoate
CasNumber:
40757-12-8
MolecularFormula:
C10H9NO3
MolecularWeight:
191.1834
MdlNumber:
MFCD11044990
Smiles:
N#Cc1ccc(c(c1)C(=O)OC)OC
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
1.8
CatalogNumber: AF87916
ChemicalName: Methyl 5-cyano-2-fluorobenzoate
CasNumber: 337362-21-7
MolecularFormula: C9H6FNO2
MolecularWeight: 179.1478
MdlNumber: MFCD11042790
Smiles: COC(=O)c1cc(C#N)ccc1F
Complexity: 245
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AF87916
ChemicalName:
Methyl 5-cyano-2-fluorobenzoate
CasNumber:
337362-21-7
MolecularFormula:
C9H6FNO2
MolecularWeight:
179.1478
MdlNumber:
MFCD11042790
Smiles:
COC(=O)c1cc(C#N)ccc1F
Complexity:
245
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
1.5
CatalogNumber: AF87917
ChemicalName: Methyl 2-chloro-3-(trifluoromethyl)benzoate
CasNumber: 378231-19-7
MolecularFormula: C9H6ClF3O2
MolecularWeight: 238.5909
MdlNumber: MFCD06203770
Smiles: COC(=O)c1cccc(c1Cl)C(F)(F)F
Complexity: 242
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AF87917
ChemicalName:
Methyl 2-chloro-3-(trifluoromethyl)benzoate
CasNumber:
378231-19-7
MolecularFormula:
C9H6ClF3O2
MolecularWeight:
238.5909
MdlNumber:
MFCD06203770
Smiles:
COC(=O)c1cccc(c1Cl)C(F)(F)F
Complexity:
242
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
3.3
CatalogNumber: AF87918
ChemicalName: Methyl 3-chloro-5-fluorobenzoate
CasNumber: 327056-75-7
MolecularFormula: C8H6ClFO2
MolecularWeight: 188.5834
MdlNumber: MFCD06204128
Smiles: COC(=O)c1cc(F)cc(c1)Cl
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AF87918
ChemicalName:
Methyl 3-chloro-5-fluorobenzoate
CasNumber:
327056-75-7
MolecularFormula:
C8H6ClFO2
MolecularWeight:
188.5834
MdlNumber:
MFCD06204128
Smiles:
COC(=O)c1cc(F)cc(c1)Cl
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.9