AD72965
1345472-13-0 | 2-Butylpyrazole-3-carbaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AD72965
ChemicalName
2-Butylpyrazole-3-carbaldehyde
CasNumber
1345472-13-0
MolecularFormula
C8H12N2O
MolecularWeight
152.1937
MdlNumber
MFCD20441938
Smiles
CCCCn1nccc1C=O
Complexity
127
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
RotatableBondCount
4
Xlogp3
1.2
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CatalogNumber: AD72965
ChemicalName: 2-Butylpyrazole-3-carbaldehyde
CasNumber: 1345472-13-0
MolecularFormula: C8H12N2O
MolecularWeight: 152.1937
MdlNumber: MFCD20441938
Smiles: CCCCn1nccc1C=O
Complexity: 127
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 4
Xlogp3: 1.2
CatalogNumber:
AD72965
ChemicalName:
2-Butylpyrazole-3-carbaldehyde
CasNumber:
1345472-13-0
MolecularFormula:
C8H12N2O
MolecularWeight:
152.1937
MdlNumber:
MFCD20441938
Smiles:
CCCCn1nccc1C=O
Complexity:
127
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
4
Xlogp3:
1.2
CatalogNumber: AD72966
ChemicalName: 1-Bromo-3-fluoro-2-(morpholinomethyl)benzene
CasNumber: 1345472-12-9
MolecularFormula: C11H13BrFNO
MolecularWeight: 274.1294
MdlNumber: MFCD20441936
Smiles: Fc1cccc(c1CN1CCOCC1)Br
Complexity: 199
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AD72966
ChemicalName:
1-Bromo-3-fluoro-2-(morpholinomethyl)benzene
CasNumber:
1345472-12-9
MolecularFormula:
C11H13BrFNO
MolecularWeight:
274.1294
MdlNumber:
MFCD20441936
Smiles:
Fc1cccc(c1CN1CCOCC1)Br
Complexity:
199
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: AD72967
ChemicalName: 2-Bromo-6-methyl-4-nitroanisole
CasNumber: 1345471-89-7
MolecularFormula: C8H8BrNO3
MolecularWeight: 246.058
MdlNumber: MFCD20441781
Smiles: COc1c(C)cc(cc1Br)[N+](=O)[O-]
Complexity: 194
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 2.8
CatalogNumber:
AD72967
ChemicalName:
2-Bromo-6-methyl-4-nitroanisole
CasNumber:
1345471-89-7
MolecularFormula:
C8H8BrNO3
MolecularWeight:
246.058
MdlNumber:
MFCD20441781
Smiles:
COc1c(C)cc(cc1Br)[N+](=O)[O-]
Complexity:
194
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cc(C)c(cc1Br)F
Complexity: 185
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cc(C)c(cc1Br)F
Complexity:
185
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9