AB52916
956477-67-1 | 4-Bromo-1-(difluoromethyl)-1H-pyrazole
Manufacturer: A2B Chem
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CatalogNumber
AB52916
ChemicalName
4-Bromo-1-(difluoromethyl)-1H-pyrazole
CasNumber
956477-67-1
MolecularFormula
C4H3BrF2N2
MolecularWeight
196.9808
MdlNumber
MFCD11558132
Smiles
FC(n1ncc(c1)Br)F
Complexity
101
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
1.8
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CatalogNumber: AB52916
ChemicalName: 4-Bromo-1-(difluoromethyl)-1H-pyrazole
CasNumber: 956477-67-1
MolecularFormula: C4H3BrF2N2
MolecularWeight: 196.9808
MdlNumber: MFCD11558132
Smiles: FC(n1ncc(c1)Br)F
Complexity: 101
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AB52916
ChemicalName:
4-Bromo-1-(difluoromethyl)-1H-pyrazole
CasNumber:
956477-67-1
MolecularFormula:
C4H3BrF2N2
MolecularWeight:
196.9808
MdlNumber:
MFCD11558132
Smiles:
FC(n1ncc(c1)Br)F
Complexity:
101
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: AB52917
ChemicalName: 3-bromo-1-methylpyridin-2-one
CasNumber: 81971-38-2
MolecularFormula: C6H6BrNO
MolecularWeight: 188.0219
MdlNumber: MFCD11226865
Smiles: Cn1cccc(c1=O)Br
Complexity: 195
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
RotatableBondCount: __
Xlogp3: 1.3
CatalogNumber:
AB52917
ChemicalName:
3-bromo-1-methylpyridin-2-one
CasNumber:
81971-38-2
MolecularFormula:
C6H6BrNO
MolecularWeight:
188.0219
MdlNumber:
MFCD11226865
Smiles:
Cn1cccc(c1=O)Br
Complexity:
195
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
RotatableBondCount:
__
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cccc(c1)C(C(F)(F)F)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cccc(c1)C(C(F)(F)F)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB52919
ChemicalName: 5-Hydroxypentanoic acid sodium salt
CasNumber: 37435-69-1
MolecularFormula: C5H9NaO3
MolecularWeight: 140.1129
MdlNumber: MFCD22192345
Smiles: OCCCCC(=O)[O-].[Na+]
Complexity: 74.6
Covalently-bondedUnitCount: 2
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AB52919
ChemicalName:
5-Hydroxypentanoic acid sodium salt
CasNumber:
37435-69-1
MolecularFormula:
C5H9NaO3
MolecularWeight:
140.1129
MdlNumber:
MFCD22192345
Smiles:
OCCCCC(=O)[O-].[Na+]
Complexity:
74.6
Covalently-bondedUnitCount:
2
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
__