AB51075
473528-88-0 | 4-Bromo-1-methylpyrazole-5-carbaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB51075
ChemicalName
4-Bromo-1-methylpyrazole-5-carbaldehyde
CasNumber
473528-88-0
MolecularFormula
C5H5BrN2O
MolecularWeight
189.01
MdlNumber
MFCD03074341
Smiles
Cn1ncc(c1C=O)Br
Complexity
120
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
0.7
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CatalogNumber: AB51075
ChemicalName: 4-Bromo-1-methylpyrazole-5-carbaldehyde
CasNumber: 473528-88-0
MolecularFormula: C5H5BrN2O
MolecularWeight: 189.01
MdlNumber: MFCD03074341
Smiles: Cn1ncc(c1C=O)Br
Complexity: 120
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 0.7
CatalogNumber:
AB51075
ChemicalName:
4-Bromo-1-methylpyrazole-5-carbaldehyde
CasNumber:
473528-88-0
MolecularFormula:
C5H5BrN2O
MolecularWeight:
189.01
MdlNumber:
MFCD03074341
Smiles:
Cn1ncc(c1C=O)Br
Complexity:
120
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCc1ccc(nc1)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCc1ccc(nc1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=CCC[C@@]([C@H]1CC[C@@]2([C@@H]1CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)(O)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=CCC[C@@]([C@H]1CC[C@@]2([C@@H]1CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)(O)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1C2=C(OC(CC2)(C)C)c2c(C1=O)cccc2
Complexity: 445
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1C2=C(OC(CC2)(C)C)c2c(C1=O)cccc2
Complexity:
445
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.2