AF33909
20583-33-9 | 1-(1H-Pyrazol-3-yl)ethanone
Manufacturer: A2B Chem
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CatalogNumber
AF33909
ChemicalName
1-(1H-Pyrazol-3-yl)ethanone
CasNumber
20583-33-9
MolecularFormula
C5H6N2O
MolecularWeight
110.1139
MdlNumber
MFCD10686790
Smiles
CC(=O)c1ccn[nH]1
NscNumber
334648
Complexity
103
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.2
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CatalogNumber: AF33909
ChemicalName: 1-(1H-Pyrazol-3-yl)ethanone
CasNumber: 20583-33-9
MolecularFormula: C5H6N2O
MolecularWeight: 110.1139
MdlNumber: MFCD10686790
Smiles: CC(=O)c1ccn[nH]1
NscNumber: 334648
Complexity: 103
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.2
CatalogNumber:
AF33909
ChemicalName:
1-(1H-Pyrazol-3-yl)ethanone
CasNumber:
20583-33-9
MolecularFormula:
C5H6N2O
MolecularWeight:
110.1139
MdlNumber:
MFCD10686790
Smiles:
CC(=O)c1ccn[nH]1
NscNumber:
334648
Complexity:
103
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.2
CatalogNumber: AF33910
ChemicalName: 1-(4-Bromo-3-chlorophenyl)ethanone
CasNumber: 3114-31-6
MolecularFormula: C8H6BrClO
MolecularWeight: 233.4896
MdlNumber: MFCD14636445
Smiles: CC(=O)c1ccc(c(c1)Cl)Br
NscNumber: __
Complexity: 160
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.9
CatalogNumber:
AF33910
ChemicalName:
1-(4-Bromo-3-chlorophenyl)ethanone
CasNumber:
3114-31-6
MolecularFormula:
C8H6BrClO
MolecularWeight:
233.4896
MdlNumber:
MFCD14636445
Smiles:
CC(=O)c1ccc(c(c1)Cl)Br
NscNumber:
__
Complexity:
160
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.9
CatalogNumber: AF33911
ChemicalName: 1,2-Dibromo-3-nitrobenzene
CasNumber: 26429-41-4
MolecularFormula: C6H3Br2NO2
MolecularWeight: 280.9015
MdlNumber: MFCD00049051
Smiles: O=N(=O)c1cccc(c1Br)Br
NscNumber: __
Complexity: 159
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.2
CatalogNumber:
AF33911
ChemicalName:
1,2-Dibromo-3-nitrobenzene
CasNumber:
26429-41-4
MolecularFormula:
C6H3Br2NO2
MolecularWeight:
280.9015
MdlNumber:
MFCD00049051
Smiles:
O=N(=O)c1cccc(c1Br)Br
NscNumber:
__
Complexity:
159
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1cnc2c(c1)ccnc2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
c1cnc2c(c1)ccnc2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__