AB66787
82099-98-7 | 4-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole
Manufacturer: A2B Chem
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CatalogNumber
AB66787
ChemicalName
4-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole
CasNumber
82099-98-7
MolecularFormula
C8H11BrN2O
MolecularWeight
231.0897
MdlNumber
MFCD12026052
Smiles
Brc1cnn(c1)C1CCCCO1
Complexity
156
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
1.7
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CatalogNumber: AB66787
ChemicalName: 4-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole
CasNumber: 82099-98-7
MolecularFormula: C8H11BrN2O
MolecularWeight: 231.0897
MdlNumber: MFCD12026052
Smiles: Brc1cnn(c1)C1CCCCO1
Complexity: 156
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.7
CatalogNumber:
AB66787
ChemicalName:
4-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole
CasNumber:
82099-98-7
MolecularFormula:
C8H11BrN2O
MolecularWeight:
231.0897
MdlNumber:
MFCD12026052
Smiles:
Brc1cnn(c1)C1CCCCO1
Complexity:
156
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCCn1cc(cn1)Br
Complexity: 102
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCCn1cc(cn1)Br
Complexity:
102
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.5
CatalogNumber: AB66789
ChemicalName: 4-Bromo-1-(4-pyrrolidinosulfonylphenyl)pyrazole
CasNumber: 1187385-91-6
MolecularFormula: C13H14BrN3O2S
MolecularWeight: 356.2382
MdlNumber: MFCD12756456
Smiles: Brc1cnn(c1)c1ccc(cc1)S(=O)(=O)N1CCCC1
Complexity: 425
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 2.2
CatalogNumber:
AB66789
ChemicalName:
4-Bromo-1-(4-pyrrolidinosulfonylphenyl)pyrazole
CasNumber:
1187385-91-6
MolecularFormula:
C13H14BrN3O2S
MolecularWeight:
356.2382
MdlNumber:
MFCD12756456
Smiles:
Brc1cnn(c1)c1ccc(cc1)S(=O)(=O)N1CCCC1
Complexity:
425
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(c(c1)F)C(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(c(c1)F)C(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__