AD72443
1355248-20-2 | Ethyl 4-(3-chloro-4-cyanophenyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AD72443
ChemicalName
Ethyl 4-(3-chloro-4-cyanophenyl)benzoate
CasNumber
1355248-20-2
MolecularFormula
C16H12ClNO2
MolecularWeight
285.725
MdlNumber
MFCD21333006
Smiles
CCOC(=O)c1ccc(cc1)c1ccc(c(c1)Cl)C#N
Complexity
381
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
4.1
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CatalogNumber: AD72443
ChemicalName: Ethyl 4-(3-chloro-4-cyanophenyl)benzoate
CasNumber: 1355248-20-2
MolecularFormula: C16H12ClNO2
MolecularWeight: 285.725
MdlNumber: MFCD21333006
Smiles: CCOC(=O)c1ccc(cc1)c1ccc(c(c1)Cl)C#N
Complexity: 381
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 4.1
CatalogNumber:
AD72443
ChemicalName:
Ethyl 4-(3-chloro-4-cyanophenyl)benzoate
CasNumber:
1355248-20-2
MolecularFormula:
C16H12ClNO2
MolecularWeight:
285.725
MdlNumber:
MFCD21333006
Smiles:
CCOC(=O)c1ccc(cc1)c1ccc(c(c1)Cl)C#N
Complexity:
381
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
4.1
CatalogNumber: AD72444
ChemicalName: 1-BOC-3-(4-nitrophenoxymethyl)azetidine
CasNumber: 1355248-07-5
MolecularFormula: C15H20N2O5
MolecularWeight: 308.3297
MdlNumber: MFCD21333098
Smiles: O=C(N1CC(C1)COc1ccc(cc1)[N+](=O)[O-])OC(C)(C)C
Complexity: 401
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
Xlogp3: 2.6
CatalogNumber:
AD72444
ChemicalName:
1-BOC-3-(4-nitrophenoxymethyl)azetidine
CasNumber:
1355248-07-5
MolecularFormula:
C15H20N2O5
MolecularWeight:
308.3297
MdlNumber:
MFCD21333098
Smiles:
O=C(N1CC(C1)COc1ccc(cc1)[N+](=O)[O-])OC(C)(C)C
Complexity:
401
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
Xlogp3:
2.6
CatalogNumber: AD72445
ChemicalName: Methyl 2-fluoro-5-(3-nitrophenyl)benzoate
CasNumber: 1355248-04-2
MolecularFormula: C14H10FNO4
MolecularWeight: 275.2319
MdlNumber: MFCD21333020
Smiles: COC(=O)c1cc(ccc1F)c1cccc(c1)[N+](=O)[O-]
Complexity: 371
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 3.3
CatalogNumber:
AD72445
ChemicalName:
Methyl 2-fluoro-5-(3-nitrophenyl)benzoate
CasNumber:
1355248-04-2
MolecularFormula:
C14H10FNO4
MolecularWeight:
275.2319
MdlNumber:
MFCD21333020
Smiles:
COC(=O)c1cc(ccc1F)c1cccc(c1)[N+](=O)[O-]
Complexity:
371
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
3.3
CatalogNumber: AD72446
ChemicalName: Methyl 1-cyclopentylazetidine-3-carboxylate
CasNumber: 1355247-97-0
MolecularFormula: C10H17NO2
MolecularWeight: 183.2475
MdlNumber: MFCD21333056
Smiles: COC(=O)C1CN(C1)C1CCCC1
Complexity: 193
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AD72446
ChemicalName:
Methyl 1-cyclopentylazetidine-3-carboxylate
CasNumber:
1355247-97-0
MolecularFormula:
C10H17NO2
MolecularWeight:
183.2475
MdlNumber:
MFCD21333056
Smiles:
COC(=O)C1CN(C1)C1CCCC1
Complexity:
193
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.2