AE62435
1393442-35-7 | Ethyl 2-fluoro-4-(4-formylphenyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AE62435
ChemicalName
Ethyl 2-fluoro-4-(4-formylphenyl)benzoate
CasNumber
1393442-35-7
MolecularFormula
C16H13FO3
MolecularWeight
272.271
MdlNumber
MFCD22383733
Smiles
CCOC(=O)c1ccc(cc1F)c1ccc(cc1)C=O
Complexity
337
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
RotatableBondCount
5
Xlogp3
3.3
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CatalogNumber: AE62435
ChemicalName: Ethyl 2-fluoro-4-(4-formylphenyl)benzoate
CasNumber: 1393442-35-7
MolecularFormula: C16H13FO3
MolecularWeight: 272.271
MdlNumber: MFCD22383733
Smiles: CCOC(=O)c1ccc(cc1F)c1ccc(cc1)C=O
Complexity: 337
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: 3.3
CatalogNumber:
AE62435
ChemicalName:
Ethyl 2-fluoro-4-(4-formylphenyl)benzoate
CasNumber:
1393442-35-7
MolecularFormula:
C16H13FO3
MolecularWeight:
272.271
MdlNumber:
MFCD22383733
Smiles:
CCOC(=O)c1ccc(cc1F)c1ccc(cc1)C=O
Complexity:
337
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
3.3
CatalogNumber: AE62436
ChemicalName: N-Ethyl-3-(4-formylphenyl)benzamide
CasNumber: 1393441-87-6
MolecularFormula: C16H15NO2
MolecularWeight: 253.2958
MdlNumber: MFCD22383732
Smiles: CCNC(=O)c1cccc(c1)c1ccc(cc1)C=O
Complexity: 308
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 2
RotatableBondCount: 4
Xlogp3: 2.7
CatalogNumber:
AE62436
ChemicalName:
N-Ethyl-3-(4-formylphenyl)benzamide
CasNumber:
1393441-87-6
MolecularFormula:
C16H15NO2
MolecularWeight:
253.2958
MdlNumber:
MFCD22383732
Smiles:
CCNC(=O)c1cccc(c1)c1ccc(cc1)C=O
Complexity:
308
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
2
RotatableBondCount:
4
Xlogp3:
2.7
CatalogNumber: AE62437
ChemicalName: 1-Benzyl-1,2,3-benzotriazole-5-carbonitrile
CasNumber: 1242069-41-5
MolecularFormula: C14H10N4
MolecularWeight: 234.256
MdlNumber: MFCD22549343
Smiles: N#Cc1ccc2c(c1)nnn2Cc1ccccc1
Complexity: 328
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AE62437
ChemicalName:
1-Benzyl-1,2,3-benzotriazole-5-carbonitrile
CasNumber:
1242069-41-5
MolecularFormula:
C14H10N4
MolecularWeight:
234.256
MdlNumber:
MFCD22549343
Smiles:
N#Cc1ccc2c(c1)nnn2Cc1ccccc1
Complexity:
328
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.4
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Smiles: N#Cc1ccc2c(c1)nc(n2Cc1ccccc1)C
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Smiles:
N#Cc1ccc2c(c1)nc(n2Cc1ccccc1)C
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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