AA18340
1174321-06-2 | 5-(Difluoromethyl)pyrazine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA18340
ChemicalName
5-(Difluoromethyl)pyrazine-2-carboxylic acid
CasNumber
1174321-06-2
MolecularFormula
C6H4F2N2O2
MolecularWeight
174.105
MdlNumber
MFCD10698566
Smiles
FC(c1ncc(nc1)C(=O)O)F
Complexity
177
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.3
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CatalogNumber: AA18340
ChemicalName: 5-(Difluoromethyl)pyrazine-2-carboxylic acid
CasNumber: 1174321-06-2
MolecularFormula: C6H4F2N2O2
MolecularWeight: 174.105
MdlNumber: MFCD10698566
Smiles: FC(c1ncc(nc1)C(=O)O)F
Complexity: 177
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.3
CatalogNumber:
AA18340
ChemicalName:
5-(Difluoromethyl)pyrazine-2-carboxylic acid
CasNumber:
1174321-06-2
MolecularFormula:
C6H4F2N2O2
MolecularWeight:
174.105
MdlNumber:
MFCD10698566
Smiles:
FC(c1ncc(nc1)C(=O)O)F
Complexity:
177
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.3
CatalogNumber: AA18341
ChemicalName: 1-(Difluoromethyl)-1H-pyrazol-4-amine
CasNumber: 1174309-16-0
MolecularFormula: C4H5F2N3
MolecularWeight: 133.0994
MdlNumber: MFCD11858421
Smiles: FC(n1ncc(c1)N)F
Complexity: 97.8
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.4
CatalogNumber:
AA18341
ChemicalName:
1-(Difluoromethyl)-1H-pyrazol-4-amine
CasNumber:
1174309-16-0
MolecularFormula:
C4H5F2N3
MolecularWeight:
133.0994
MdlNumber:
MFCD11858421
Smiles:
FC(n1ncc(c1)N)F
Complexity:
97.8
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.4
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Smiles: CCOC(=O)c1nn(c(c1Br)N)C
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Smiles:
CCOC(=O)c1nn(c(c1Br)N)C
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Smiles: BrCC(=O)c1cc(sc1S(=O)(=O)NCCCOC)Cl
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Smiles:
BrCC(=O)c1cc(sc1S(=O)(=O)NCCCOC)Cl
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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