AB52687
57121-49-0 | 4-Ethynyl-1H-pyrazole
Manufacturer: A2B Chem
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CatalogNumber
AB52687
ChemicalName
4-Ethynyl-1H-pyrazole
CasNumber
57121-49-0
MolecularFormula
C5H4N2
MolecularWeight
92.0987
MdlNumber
MFCD18207413
Smiles
C#Cc1c[nH]nc1
Complexity
99.9
Covalently-bondedUnitCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.3
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CatalogNumber: AB52687
ChemicalName: 4-Ethynyl-1H-pyrazole
CasNumber: 57121-49-0
MolecularFormula: C5H4N2
MolecularWeight: 92.0987
MdlNumber: MFCD18207413
Smiles: C#Cc1c[nH]nc1
Complexity: 99.9
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.3
CatalogNumber:
AB52687
ChemicalName:
4-Ethynyl-1H-pyrazole
CasNumber:
57121-49-0
MolecularFormula:
C5H4N2
MolecularWeight:
92.0987
MdlNumber:
MFCD18207413
Smiles:
C#Cc1c[nH]nc1
Complexity:
99.9
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.3
CatalogNumber: AB52688
ChemicalName: 3-Cyclopentyloxy-4-methoxybenzaldehyde
CasNumber: 67387-76-2
MolecularFormula: C13H16O3
MolecularWeight: 220.2643
MdlNumber: MFCD00673136
Smiles: COc1ccc(cc1OC1CCCC1)C=O
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 2.6
CatalogNumber:
AB52688
ChemicalName:
3-Cyclopentyloxy-4-methoxybenzaldehyde
CasNumber:
67387-76-2
MolecularFormula:
C13H16O3
MolecularWeight:
220.2643
MdlNumber:
MFCD00673136
Smiles:
COc1ccc(cc1OC1CCCC1)C=O
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
2.6
CatalogNumber: AB52689
ChemicalName: 3-Amino-4-bromobenzonitrile
CasNumber: 72635-78-0
MolecularFormula: C7H5BrN2
MolecularWeight: 197.032
MdlNumber: MFCD11036380
Smiles: N#Cc1ccc(c(c1)N)Br
Complexity: 160
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.7
CatalogNumber:
AB52689
ChemicalName:
3-Amino-4-bromobenzonitrile
CasNumber:
72635-78-0
MolecularFormula:
C7H5BrN2
MolecularWeight:
197.032
MdlNumber:
MFCD11036380
Smiles:
N#Cc1ccc(c(c1)N)Br
Complexity:
160
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__