AG24935
4435-14-7 | 2-Cyclohexylacetonitrile
Manufacturer: A2B Chem
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CatalogNumber
AG24935
ChemicalName
2-Cyclohexylacetonitrile
CasNumber
4435-14-7
MolecularFormula
C8H13N
MolecularWeight
123.19551999999997
MdlNumber
MFCD00058667
Smiles
N#CCC1CCCCC1
Complexity
114
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
1
RotatableBondCount
1
Xlogp3
2.7
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CatalogNumber: AG24935
ChemicalName: 2-Cyclohexylacetonitrile
CasNumber: 4435-14-7
MolecularFormula: C8H13N
MolecularWeight: 123.19551999999997
MdlNumber: MFCD00058667
Smiles: N#CCC1CCCCC1
Complexity: 114
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 2.7
CatalogNumber:
AG24935
ChemicalName:
2-Cyclohexylacetonitrile
CasNumber:
4435-14-7
MolecularFormula:
C8H13N
MolecularWeight:
123.19551999999997
MdlNumber:
MFCD00058667
Smiles:
N#CCC1CCCCC1
Complexity:
114
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
2.7
CatalogNumber: AG24936
ChemicalName: 3-Bromo-1-(3-chloropyridin-2-yl)-1h-pyrazole-5-carboxylic acid
CasNumber: 500011-86-9
MolecularFormula: C9H5BrClN3O2
MolecularWeight: 302.5119
MdlNumber: MFCD08689880
Smiles: Brc1nn(c(c1)C(=O)O)c1ncccc1Cl
Complexity: 282
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AG24936
ChemicalName:
3-Bromo-1-(3-chloropyridin-2-yl)-1h-pyrazole-5-carboxylic acid
CasNumber:
500011-86-9
MolecularFormula:
C9H5BrClN3O2
MolecularWeight:
302.5119
MdlNumber:
MFCD08689880
Smiles:
Brc1nn(c(c1)C(=O)O)c1ncccc1Cl
Complexity:
282
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.7
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Smiles: CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)[O-])cc(cc2C)c1nc2c(n1C)cccc2.[Na+]
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Smiles:
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)[O-])cc(cc2C)c1nc2c(n1C)cccc2.[Na+]
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Smiles: CC(=O)CC(=O)c1ccc2c(c1)OCO2
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Smiles:
CC(=O)CC(=O)c1ccc2c(c1)OCO2
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HydrogenBondAcceptorCount:
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