AB00508
1780-80-9 | 4-Chloro-6-(trifluoromethyl)-1h-pyrazolo[3,4-d]pyrimidine
Manufacturer: A2B Chem
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CatalogNumber
AB00508
ChemicalName
4-Chloro-6-(trifluoromethyl)-1h-pyrazolo[3,4-d]pyrimidine
CasNumber
1780-80-9
MolecularFormula
C6H2ClF3N4
MolecularWeight
222.5551
MdlNumber
MFCD09999248
Smiles
Clc1nc(nc2c1cn[nH]2)C(F)(F)F
NscNumber
53928
Complexity
224
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
Xlogp3
2
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CatalogNumber: AB00508
ChemicalName: 4-Chloro-6-(trifluoromethyl)-1h-pyrazolo[3,4-d]pyrimidine
CasNumber: 1780-80-9
MolecularFormula: C6H2ClF3N4
MolecularWeight: 222.5551
MdlNumber: MFCD09999248
Smiles: Clc1nc(nc2c1cn[nH]2)C(F)(F)F
NscNumber: 53928
Complexity: 224
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
Xlogp3: 2
CatalogNumber:
AB00508
ChemicalName:
4-Chloro-6-(trifluoromethyl)-1h-pyrazolo[3,4-d]pyrimidine
CasNumber:
1780-80-9
MolecularFormula:
C6H2ClF3N4
MolecularWeight:
222.5551
MdlNumber:
MFCD09999248
Smiles:
Clc1nc(nc2c1cn[nH]2)C(F)(F)F
NscNumber:
53928
Complexity:
224
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
Xlogp3:
2
CatalogNumber: AB00509
ChemicalName: 6-(Trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CasNumber: 1780-79-6
MolecularFormula: C6H3F3N4O
MolecularWeight: 204.1094
MdlNumber: MFCD24391336
Smiles: O=c1[nH]c(nc2c1cn[nH]2)C(F)(F)F
NscNumber: 53128
Complexity: 300
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
Xlogp3: 0.4
CatalogNumber:
AB00509
ChemicalName:
6-(Trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CasNumber:
1780-79-6
MolecularFormula:
C6H3F3N4O
MolecularWeight:
204.1094
MdlNumber:
MFCD24391336
Smiles:
O=c1[nH]c(nc2c1cn[nH]2)C(F)(F)F
NscNumber:
53128
Complexity:
300
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1n[nH]c(c1Br)C
NscNumber: __
Complexity: 87.4
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: 1
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
Nc1n[nH]c(c1Br)C
NscNumber:
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Complexity:
87.4
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: CCCC(C(=O)c1ccccc1)C#N
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CCCC(C(=O)c1ccccc1)C#N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__