AD54105
1355247-44-7 | Methyl 3-(3-chloro-4-cyanophenyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AD54105
ChemicalName
Methyl 3-(3-chloro-4-cyanophenyl)benzoate
CasNumber
1355247-44-7
MolecularFormula
C15H10ClNO2
MolecularWeight
271.6984
MdlNumber
MFCD21333007
Smiles
COC(=O)c1cccc(c1)c1ccc(c(c1)Cl)C#N
Complexity
376
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
3.7
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CatalogNumber: AD54105
ChemicalName: Methyl 3-(3-chloro-4-cyanophenyl)benzoate
CasNumber: 1355247-44-7
MolecularFormula: C15H10ClNO2
MolecularWeight: 271.6984
MdlNumber: MFCD21333007
Smiles: COC(=O)c1cccc(c1)c1ccc(c(c1)Cl)C#N
Complexity: 376
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 3.7
CatalogNumber:
AD54105
ChemicalName:
Methyl 3-(3-chloro-4-cyanophenyl)benzoate
CasNumber:
1355247-44-7
MolecularFormula:
C15H10ClNO2
MolecularWeight:
271.6984
MdlNumber:
MFCD21333007
Smiles:
COC(=O)c1cccc(c1)c1ccc(c(c1)Cl)C#N
Complexity:
376
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
3.7
CatalogNumber: AD54106
ChemicalName: 2-(2-Carboxyphenyl)-5-fluorobenzoic acid
CasNumber: 1355247-36-7
MolecularFormula: C14H9FO4
MolecularWeight: 260.2173
MdlNumber: MFCD21332946
Smiles: Fc1ccc(c(c1)C(=O)O)c1ccccc1C(=O)O
Complexity: 357
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AD54106
ChemicalName:
2-(2-Carboxyphenyl)-5-fluorobenzoic acid
CasNumber:
1355247-36-7
MolecularFormula:
C14H9FO4
MolecularWeight:
260.2173
MdlNumber:
MFCD21332946
Smiles:
Fc1ccc(c(c1)C(=O)O)c1ccccc1C(=O)O
Complexity:
357
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
2.2
CatalogNumber: AD54107
ChemicalName: N-Cyclopropyl 2-bromo-6-fluorobenzylamine
CasNumber: 1355247-19-6
MolecularFormula: C10H11BrFN
MolecularWeight: 244.1034
MdlNumber: MFCD21333065
Smiles: Fc1cccc(c1CNC1CC1)Br
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 2.6
CatalogNumber:
AD54107
ChemicalName:
N-Cyclopropyl 2-bromo-6-fluorobenzylamine
CasNumber:
1355247-19-6
MolecularFormula:
C10H11BrFN
MolecularWeight:
244.1034
MdlNumber:
MFCD21333065
Smiles:
Fc1cccc(c1CNC1CC1)Br
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
2.6
CatalogNumber: AD54108
ChemicalName: N,N-Dimethyl 2-bromo-6-fluorobenzylamine
CasNumber: 1355247-17-4
MolecularFormula: C9H11BrFN
MolecularWeight: 232.0927
MdlNumber: MFCD21333061
Smiles: CN(Cc1c(F)cccc1Br)C
Complexity: 141
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AD54108
ChemicalName:
N,N-Dimethyl 2-bromo-6-fluorobenzylamine
CasNumber:
1355247-17-4
MolecularFormula:
C9H11BrFN
MolecularWeight:
232.0927
MdlNumber:
MFCD21333061
Smiles:
CN(Cc1c(F)cccc1Br)C
Complexity:
141
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
2.5