AB07570
1979-96-0 | 4,6-Dichloro-2-(methylthio)-5-nitropyrimidine
Manufacturer: A2B Chem
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CatalogNumber
AB07570
ChemicalName
4,6-Dichloro-2-(methylthio)-5-nitropyrimidine
CasNumber
1979-96-0
MolecularFormula
C5H3Cl2N3O2S
MolecularWeight
240.0672
MdlNumber
MFCD02323208
Smiles
CSc1nc(Cl)c(c(n1)Cl)[N+](=O)[O-]
Complexity
191
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
RotatableBondCount
1
Xlogp3
2.8
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CatalogNumber: AB07570
ChemicalName: 4,6-Dichloro-2-(methylthio)-5-nitropyrimidine
CasNumber: 1979-96-0
MolecularFormula: C5H3Cl2N3O2S
MolecularWeight: 240.0672
MdlNumber: MFCD02323208
Smiles: CSc1nc(Cl)c(c(n1)Cl)[N+](=O)[O-]
Complexity: 191
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 2.8
CatalogNumber:
AB07570
ChemicalName:
4,6-Dichloro-2-(methylthio)-5-nitropyrimidine
CasNumber:
1979-96-0
MolecularFormula:
C5H3Cl2N3O2S
MolecularWeight:
240.0672
MdlNumber:
MFCD02323208
Smiles:
CSc1nc(Cl)c(c(n1)Cl)[N+](=O)[O-]
Complexity:
191
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1C)C(=O)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1C)C(=O)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB07573
ChemicalName: 2',5'-Difluoroacetophenone
CasNumber: 1979-36-8
MolecularFormula: C8H6F2O
MolecularWeight: 156.1294
MdlNumber: MFCD00009898
Smiles: Fc1ccc(c(c1)C(=O)C)F
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AB07573
ChemicalName:
2',5'-Difluoroacetophenone
CasNumber:
1979-36-8
MolecularFormula:
C8H6F2O
MolecularWeight:
156.1294
MdlNumber:
MFCD00009898
Smiles:
Fc1ccc(c(c1)C(=O)C)F
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: AB07574
ChemicalName: 2-(Trifluoromethoxy)benzoic acid
CasNumber: 1979-29-9
MolecularFormula: C8H5F3O3
MolecularWeight: 206.1187
MdlNumber: MFCD00052325
Smiles: OC(=O)c1ccccc1OC(F)(F)F
Complexity: 214
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AB07574
ChemicalName:
2-(Trifluoromethoxy)benzoic acid
CasNumber:
1979-29-9
MolecularFormula:
C8H5F3O3
MolecularWeight:
206.1187
MdlNumber:
MFCD00052325
Smiles:
OC(=O)c1ccccc1OC(F)(F)F
Complexity:
214
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
RotatableBondCount:
2
Xlogp3:
2.8