AD26874
1345471-55-7 | 4-Bromo-2-(oxan-2-yl)pyrazole-3-carbaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AD26874
ChemicalName
4-Bromo-2-(oxan-2-yl)pyrazole-3-carbaldehyde
CasNumber
1345471-55-7
MolecularFormula
C9H11BrN2O2
MolecularWeight
259.0998
MdlNumber
MFCD20441948
Smiles
O=Cc1c(Br)cnn1C1CCCCO1
Complexity
215
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.5
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CatalogNumber: AD26874
ChemicalName: 4-Bromo-2-(oxan-2-yl)pyrazole-3-carbaldehyde
CasNumber: 1345471-55-7
MolecularFormula: C9H11BrN2O2
MolecularWeight: 259.0998
MdlNumber: MFCD20441948
Smiles: O=Cc1c(Br)cnn1C1CCCCO1
Complexity: 215
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.5
CatalogNumber:
AD26874
ChemicalName:
4-Bromo-2-(oxan-2-yl)pyrazole-3-carbaldehyde
CasNumber:
1345471-55-7
MolecularFormula:
C9H11BrN2O2
MolecularWeight:
259.0998
MdlNumber:
MFCD20441948
Smiles:
O=Cc1c(Br)cnn1C1CCCCO1
Complexity:
215
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCNC(=O)c1cccc(c1)c1ccc(cc1)N
Complexity: 272
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCNC(=O)c1cccc(c1)c1ccc(cc1)N
Complexity:
272
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.5
CatalogNumber: AD26876
ChemicalName: 5-(2-Cyanophenyl)-2-fluorobenzoic acid
CasNumber: 1345471-31-9
MolecularFormula: C14H8FNO2
MolecularWeight: 241.2172
MdlNumber: MFCD20441867
Smiles: N#Cc1ccccc1c1ccc(c(c1)C(=O)O)F
Complexity: 362
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 2.9
CatalogNumber:
AD26876
ChemicalName:
5-(2-Cyanophenyl)-2-fluorobenzoic acid
CasNumber:
1345471-31-9
MolecularFormula:
C14H8FNO2
MolecularWeight:
241.2172
MdlNumber:
MFCD20441867
Smiles:
N#Cc1ccccc1c1ccc(c(c1)C(=O)O)F
Complexity:
362
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.9
CatalogNumber: AD26877
ChemicalName: 1-Bromo-3-(propane-2-sulfinyl)benzene
CasNumber: 1345471-26-2
MolecularFormula: C9H11BrOS
MolecularWeight: 247.152
MdlNumber: MFCD20441853
Smiles: Brc1cccc(c1)S(=O)C(C)C
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.4
CatalogNumber:
AD26877
ChemicalName:
1-Bromo-3-(propane-2-sulfinyl)benzene
CasNumber:
1345471-26-2
MolecularFormula:
C9H11BrOS
MolecularWeight:
247.152
MdlNumber:
MFCD20441853
Smiles:
Brc1cccc(c1)S(=O)C(C)C
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.4