AB47898
89102-73-8 | 3-Isoxazolemethanol
Manufacturer: A2B Chem
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CatalogNumber
AB47898
ChemicalName
3-Isoxazolemethanol
CasNumber
89102-73-8
MolecularFormula
C4H5NO2
MolecularWeight
99.088
MdlNumber
MFCD07778413
Smiles
OCc1ccon1
Complexity
57.7
Covalently-bondedUnitCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
-0.5
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CatalogNumber: AB47898
ChemicalName: 3-Isoxazolemethanol
CasNumber: 89102-73-8
MolecularFormula: C4H5NO2
MolecularWeight: 99.088
MdlNumber: MFCD07778413
Smiles: OCc1ccon1
Complexity: 57.7
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: -0.5
CatalogNumber:
AB47898
ChemicalName:
3-Isoxazolemethanol
CasNumber:
89102-73-8
MolecularFormula:
C4H5NO2
MolecularWeight:
99.088
MdlNumber:
MFCD07778413
Smiles:
OCc1ccon1
Complexity:
57.7
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
-0.5
CatalogNumber: AB47899
ChemicalName: 7,8-Difluorochroman-4-one
CasNumber: 890840-90-1
MolecularFormula: C9H6F2O2
MolecularWeight: 184.1395
MdlNumber: MFCD11518476
Smiles: O=C1CCOc2c1ccc(c2F)F
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.6
CatalogNumber:
AB47899
ChemicalName:
7,8-Difluorochroman-4-one
CasNumber:
890840-90-1
MolecularFormula:
C9H6F2O2
MolecularWeight:
184.1395
MdlNumber:
MFCD11518476
Smiles:
O=C1CCOc2c1ccc(c2F)F
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1[nH]cc(c1C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1[nH]cc(c1C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB47901
ChemicalName: 5-Bromo-1-methyl-1h-pyrazol-3-amine
CasNumber: 89088-55-1
MolecularFormula: C4H6BrN3
MolecularWeight: 176.0145
MdlNumber: MFCD16620114
Smiles: Nc1nn(c(c1)Br)C
Complexity: 87.4
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.9
CatalogNumber:
AB47901
ChemicalName:
5-Bromo-1-methyl-1h-pyrazol-3-amine
CasNumber:
89088-55-1
MolecularFormula:
C4H6BrN3
MolecularWeight:
176.0145
MdlNumber:
MFCD16620114
Smiles:
Nc1nn(c(c1)Br)C
Complexity:
87.4
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.9