AE62124
1403483-65-7 | 4,5-Diiodo-1-(oxan-2-yl)pyrazole
Manufacturer: A2B Chem
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CatalogNumber
AE62124
ChemicalName
4,5-Diiodo-1-(oxan-2-yl)pyrazole
CasNumber
1403483-65-7
MolecularFormula
C8H10I2N2O
MolecularWeight
403.9867
MdlNumber
MFCD22549336
Smiles
Ic1cnn(c1I)C1CCCCO1
Complexity
182
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
2.3
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CatalogNumber: AE62124
ChemicalName: 4,5-Diiodo-1-(oxan-2-yl)pyrazole
CasNumber: 1403483-65-7
MolecularFormula: C8H10I2N2O
MolecularWeight: 403.9867
MdlNumber: MFCD22549336
Smiles: Ic1cnn(c1I)C1CCCCO1
Complexity: 182
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.3
CatalogNumber:
AE62124
ChemicalName:
4,5-Diiodo-1-(oxan-2-yl)pyrazole
CasNumber:
1403483-65-7
MolecularFormula:
C8H10I2N2O
MolecularWeight:
403.9867
MdlNumber:
MFCD22549336
Smiles:
Ic1cnn(c1I)C1CCCCO1
Complexity:
182
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.3
CatalogNumber: AE62125
ChemicalName: 1-[(4-Nitrophenyl)methyl]pyrrolidine
CasNumber: 133851-67-9
MolecularFormula: C11H14N2O2
MolecularWeight: 206.2411
MdlNumber: MFCD02051488
Smiles: [O-][N+](=O)c1ccc(cc1)CN1CCCC1
Complexity: 213
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 2.1
CatalogNumber:
AE62125
ChemicalName:
1-[(4-Nitrophenyl)methyl]pyrrolidine
CasNumber:
133851-67-9
MolecularFormula:
C11H14N2O2
MolecularWeight:
206.2411
MdlNumber:
MFCD02051488
Smiles:
[O-][N+](=O)c1ccc(cc1)CN1CCCC1
Complexity:
213
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.1
CatalogNumber: AE62126
ChemicalName: 4-Nitro-3-(propylamino)benzoic acid
CasNumber: 1400644-69-0
MolecularFormula: C10H12N2O4
MolecularWeight: 224.2133
MdlNumber: MFCD22421482
Smiles: [O-][N+](=O)c1ccc(cc1NCCC)C(=O)O
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
Xlogp3: 3.2
CatalogNumber:
AE62126
ChemicalName:
4-Nitro-3-(propylamino)benzoic acid
CasNumber:
1400644-69-0
MolecularFormula:
C10H12N2O4
MolecularWeight:
224.2133
MdlNumber:
MFCD22421482
Smiles:
[O-][N+](=O)c1ccc(cc1NCCC)C(=O)O
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN1CCN(CC1)c1c(F)cc2c3c1OCC(n3cc(c2=O)C(=O)O)C.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN1CCN(CC1)c1c(F)cc2c3c1OCC(n3cc(c2=O)C(=O)O)C.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__