AB49016
5098-14-6 | Aminomalononitrile p-toluenesulfonate
Manufacturer: A2B Chem
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CatalogNumber
AB49016
ChemicalName
Aminomalononitrile p-toluenesulfonate
CasNumber
5098-14-6
MolecularFormula
C10H11N3O3S
MolecularWeight
253.2776
MdlNumber
MFCD00012848
Smiles
Cc1ccc(cc1)S(=O)(=O)O.NC(C#N)C#N
Complexity
310
Covalently-bondedUnitCount
2
HeavyAtomCount
17
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
1
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CatalogNumber: AB49016
ChemicalName: Aminomalononitrile p-toluenesulfonate
CasNumber: 5098-14-6
MolecularFormula: C10H11N3O3S
MolecularWeight: 253.2776
MdlNumber: MFCD00012848
Smiles: Cc1ccc(cc1)S(=O)(=O)O.NC(C#N)C#N
Complexity: 310
Covalently-bondedUnitCount: 2
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 1
CatalogNumber:
AB49016
ChemicalName:
Aminomalononitrile p-toluenesulfonate
CasNumber:
5098-14-6
MolecularFormula:
C10H11N3O3S
MolecularWeight:
253.2776
MdlNumber:
MFCD00012848
Smiles:
Cc1ccc(cc1)S(=O)(=O)O.NC(C#N)C#N
Complexity:
310
Covalently-bondedUnitCount:
2
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1CCC(=O)CC1
Complexity: 86.6
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1CCC(=O)CC1
Complexity:
86.6
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCCCn1c(=O)[nH]c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCCCn1c(=O)[nH]c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AB49019
ChemicalName: 4-Bromo-2,6-dimethylpyridine
CasNumber: 5093-70-9
MolecularFormula: C7H8BrN
MolecularWeight: 186.0491
MdlNumber: MFCD00666813
Smiles: Brc1cc(C)nc(c1)C
Complexity: 84.9
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
AB49019
ChemicalName:
4-Bromo-2,6-dimethylpyridine
CasNumber:
5093-70-9
MolecularFormula:
C7H8BrN
MolecularWeight:
186.0491
MdlNumber:
MFCD00666813
Smiles:
Brc1cc(C)nc(c1)C
Complexity:
84.9
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
__