AF59053
33265-71-3 | 2-(1H-Pyrrol-1-yl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AF59053
ChemicalName
2-(1H-Pyrrol-1-yl)benzonitrile
CasNumber
33265-71-3
MolecularFormula
C11H8N2
MolecularWeight
168.1946
MdlNumber
MFCD00128308
Smiles
N#Cc1ccccc1n1cccc1
Complexity
209
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
1
RotatableBondCount
1
Xlogp3
2
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CatalogNumber: AF59053
ChemicalName: 2-(1H-Pyrrol-1-yl)benzonitrile
CasNumber: 33265-71-3
MolecularFormula: C11H8N2
MolecularWeight: 168.1946
MdlNumber: MFCD00128308
Smiles: N#Cc1ccccc1n1cccc1
Complexity: 209
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AF59053
ChemicalName:
2-(1H-Pyrrol-1-yl)benzonitrile
CasNumber:
33265-71-3
MolecularFormula:
C11H8N2
MolecularWeight:
168.1946
MdlNumber:
MFCD00128308
Smiles:
N#Cc1ccccc1n1cccc1
Complexity:
209
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CCc1scc(n1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CCc1scc(n1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AF59055
ChemicalName: 2-Methyl-2-[4-(trifluoromethyl)phenyl]propanoic acid
CasNumber: 32445-89-9
MolecularFormula: C11H11F3O2
MolecularWeight: 232.19904959999997
MdlNumber: MFCD10703524
Smiles: OC(=O)C(c1ccc(cc1)C(F)(F)F)(C)C
Complexity: 263
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 3.2
CatalogNumber:
AF59055
ChemicalName:
2-Methyl-2-[4-(trifluoromethyl)phenyl]propanoic acid
CasNumber:
32445-89-9
MolecularFormula:
C11H11F3O2
MolecularWeight:
232.19904959999997
MdlNumber:
MFCD10703524
Smiles:
OC(=O)C(c1ccc(cc1)C(F)(F)F)(C)C
Complexity:
263
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CCc1c(O)ccc(c1O)C(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CCc1c(O)ccc(c1O)C(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__