AE62768
1305323-24-3 | 3-Iodo-1-(oxan-2-yl)pyrazole
Manufacturer: A2B Chem
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CatalogNumber
AE62768
ChemicalName
3-Iodo-1-(oxan-2-yl)pyrazole
CasNumber
1305323-24-3
MolecularFormula
C8H11IN2O
MolecularWeight
278.09021
MdlNumber
MFCD22549337
Smiles
Ic1ccn(n1)C1CCCCO1
Complexity
156
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
1.7
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CatalogNumber: AE62768
ChemicalName: 3-Iodo-1-(oxan-2-yl)pyrazole
CasNumber: 1305323-24-3
MolecularFormula: C8H11IN2O
MolecularWeight: 278.09021
MdlNumber: MFCD22549337
Smiles: Ic1ccn(n1)C1CCCCO1
Complexity: 156
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.7
CatalogNumber:
AE62768
ChemicalName:
3-Iodo-1-(oxan-2-yl)pyrazole
CasNumber:
1305323-24-3
MolecularFormula:
C8H11IN2O
MolecularWeight:
278.09021
MdlNumber:
MFCD22549337
Smiles:
Ic1ccn(n1)C1CCCCO1
Complexity:
156
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1CN(C(=O)C1)c1ccc(cc1)F
Complexity: 313
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1CN(C(=O)C1)c1ccc(cc1)F
Complexity:
313
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.9
CatalogNumber: AE62770
ChemicalName: Methyl 3-formamido-4-hydroxybenzoate
CasNumber: 1379261-17-2
MolecularFormula: C9H9NO4
MolecularWeight: 195.1721
MdlNumber: MFCD20676665
Smiles: O=CNc1cc(ccc1O)C(=O)OC
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 0.6
CatalogNumber:
AE62770
ChemicalName:
Methyl 3-formamido-4-hydroxybenzoate
CasNumber:
1379261-17-2
MolecularFormula:
C9H9NO4
MolecularWeight:
195.1721
MdlNumber:
MFCD20676665
Smiles:
O=CNc1cc(ccc1O)C(=O)OC
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.6
CatalogNumber: AE62771
ChemicalName: Methyl 3-(isopropylamino)-4-nitrobenzoate
CasNumber: 1400645-23-9
MolecularFormula: C11H14N2O4
MolecularWeight: 238.2399
MdlNumber: MFCD22421500
Smiles: COC(=O)c1ccc(c(c1)NC(C)C)[N+](=O)[O-]
Complexity: 288
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
Xlogp3: 2.9
CatalogNumber:
AE62771
ChemicalName:
Methyl 3-(isopropylamino)-4-nitrobenzoate
CasNumber:
1400645-23-9
MolecularFormula:
C11H14N2O4
MolecularWeight:
238.2399
MdlNumber:
MFCD22421500
Smiles:
COC(=O)c1ccc(c(c1)NC(C)C)[N+](=O)[O-]
Complexity:
288
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.9