AB07190
197507-52-1 | 2-(Diethylamino)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB07190
ChemicalName
2-(Diethylamino)benzonitrile
CasNumber
197507-52-1
MolecularFormula
C11H14N2
MolecularWeight
174.2423
MdlNumber
MFCD11155678
Smiles
CCN(c1ccccc1C#N)CC
Complexity
188
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
2.5
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CatalogNumber: AB07190
ChemicalName: 2-(Diethylamino)benzonitrile
CasNumber: 197507-52-1
MolecularFormula: C11H14N2
MolecularWeight: 174.2423
MdlNumber: MFCD11155678
Smiles: CCN(c1ccccc1C#N)CC
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AB07190
ChemicalName:
2-(Diethylamino)benzonitrile
CasNumber:
197507-52-1
MolecularFormula:
C11H14N2
MolecularWeight:
174.2423
MdlNumber:
MFCD11155678
Smiles:
CCN(c1ccccc1C#N)CC
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: AB07191
ChemicalName: Methyl 2-fluoro-4-hydroxybenzoate
CasNumber: 197507-22-5
MolecularFormula: C8H7FO3
MolecularWeight: 170.1378
MdlNumber: MFCD09038282
Smiles: COC(=O)c1ccc(cc1F)O
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AB07191
ChemicalName:
Methyl 2-fluoro-4-hydroxybenzoate
CasNumber:
197507-22-5
MolecularFormula:
C8H7FO3
MolecularWeight:
170.1378
MdlNumber:
MFCD09038282
Smiles:
COC(=O)c1ccc(cc1F)O
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
1.5
CatalogNumber: AB07192
ChemicalName: 3-Formylindole-5-carboxylic acid methyl ester
CasNumber: 197506-83-5
MolecularFormula: C11H9NO3
MolecularWeight: 203.1941
MdlNumber: MFCD00211075
Smiles: COC(=O)c1cc2c(C=O)c[nH]c2cc1
Complexity: 267
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AB07192
ChemicalName:
3-Formylindole-5-carboxylic acid methyl ester
CasNumber:
197506-83-5
MolecularFormula:
C11H9NO3
MolecularWeight:
203.1941
MdlNumber:
MFCD00211075
Smiles:
COC(=O)c1cc2c(C=O)c[nH]c2cc1
Complexity:
267
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.5
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Smiles: COc1ccc(cc1N(C)C)C(=O)O
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Smiles:
COc1ccc(cc1N(C)C)C(=O)O
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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