AI62819
939999-23-2 | 3-(2-Oxopyrrolidin-1-yl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI62819
ChemicalName
3-(2-Oxopyrrolidin-1-yl)benzonitrile
CasNumber
939999-23-2
MolecularFormula
C11H10N2O
MolecularWeight
186.2099
MdlNumber
MFCD09950471
Smiles
N#Cc1cccc(c1)N1CCCC1=O
Complexity
278
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
1.1
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CatalogNumber: AI62819
ChemicalName: 3-(2-Oxopyrrolidin-1-yl)benzonitrile
CasNumber: 939999-23-2
MolecularFormula: C11H10N2O
MolecularWeight: 186.2099
MdlNumber: MFCD09950471
Smiles: N#Cc1cccc(c1)N1CCCC1=O
Complexity: 278
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.1
CatalogNumber:
AI62819
ChemicalName:
3-(2-Oxopyrrolidin-1-yl)benzonitrile
CasNumber:
939999-23-2
MolecularFormula:
C11H10N2O
MolecularWeight:
186.2099
MdlNumber:
MFCD09950471
Smiles:
N#Cc1cccc(c1)N1CCCC1=O
Complexity:
278
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.1
CatalogNumber: AI62820
ChemicalName: 4-((2-Chloroethyl)(methyl)amino)benzaldehyde
CasNumber: 94-31-5
MolecularFormula: C10H12ClNO
MolecularWeight: 197.6614
MdlNumber: MFCD00071777
Smiles: ClCCN(c1ccc(cc1)C=O)C
Complexity: 155
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
Xlogp3: 2.4
CatalogNumber:
AI62820
ChemicalName:
4-((2-Chloroethyl)(methyl)amino)benzaldehyde
CasNumber:
94-31-5
MolecularFormula:
C10H12ClNO
MolecularWeight:
197.6614
MdlNumber:
MFCD00071777
Smiles:
ClCCN(c1ccc(cc1)C=O)C
Complexity:
155
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.4
CatalogNumber: AI62821
ChemicalName: 2-Amino-6-ethoxybenzothiazole
CasNumber: 94-45-1
MolecularFormula: C9H10N2OS
MolecularWeight: 194.2535
MdlNumber: MFCD00005788
Smiles: CCOc1ccc2c(c1)sc(n2)N
Complexity: 179
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 2.8
CatalogNumber:
AI62821
ChemicalName:
2-Amino-6-ethoxybenzothiazole
CasNumber:
94-45-1
MolecularFormula:
C9H10N2OS
MolecularWeight:
194.2535
MdlNumber:
MFCD00005788
Smiles:
CCOc1ccc2c(c1)sc(n2)N
Complexity:
179
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccccc1)OCCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccccc1)OCCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__