AE36115
1431280-51-1 | Vlx1570
Manufacturer: A2B Chem
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CatalogNumber
AE36115
ChemicalName
Vlx1570
CasNumber
1431280-51-1
MolecularFormula
C23H17F2N3O6
MolecularWeight
469.3944
MdlNumber
MFCD28502165
Smiles
C=CC(=O)N1CC/C(=C/c2ccc(c(c2)[N+](=O)[O-])F)/C(=O)C(=Cc2ccc(c(c2)[N+](=O)[O-])F)C1
Complexity
909
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
2
HeavyAtomCount
34
HydrogenBondAcceptorCount
8
RotatableBondCount
3
Xlogp3
4
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CatalogNumber: AE36115
ChemicalName: Vlx1570
CasNumber: 1431280-51-1
MolecularFormula: C23H17F2N3O6
MolecularWeight: 469.3944
MdlNumber: MFCD28502165
Smiles: C=CC(=O)N1CC/C(=C/c2ccc(c(c2)[N+](=O)[O-])F)/C(=O)C(=Cc2ccc(c(c2)[N+](=O)[O-])F)C1
Complexity: 909
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 2
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 8
RotatableBondCount: 3
Xlogp3: 4
CatalogNumber:
AE36115
ChemicalName:
Vlx1570
CasNumber:
1431280-51-1
MolecularFormula:
C23H17F2N3O6
MolecularWeight:
469.3944
MdlNumber:
MFCD28502165
Smiles:
C=CC(=O)N1CC/C(=C/c2ccc(c(c2)[N+](=O)[O-])F)/C(=O)C(=Cc2ccc(c(c2)[N+](=O)[O-])F)C1
Complexity:
909
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
2
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
8
RotatableBondCount:
3
Xlogp3:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(cc1)c1nn(c2c1c(N)ncn2)C(CNC(=O)c1ncccc1C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(cc1)c1nn(c2c1c(N)ncn2)C(CNC(=O)c1ncccc1C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1ccccn1CC1(O)CCN(CC1)Cc1ccccc1.Cl
Complexity: 444
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1ccccn1CC1(O)CCN(CC1)Cc1ccccc1.Cl
Complexity:
444
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE36118
ChemicalName: 4-tert-Butyl-2-iodoaniline
CasNumber: 128318-63-8
MolecularFormula: C10H14IN
MolecularWeight: 275.12933
MdlNumber: MFCD09743667
Smiles: Nc1ccc(cc1I)C(C)(C)C
Complexity: 150
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 3.6
CatalogNumber:
AE36118
ChemicalName:
4-tert-Butyl-2-iodoaniline
CasNumber:
128318-63-8
MolecularFormula:
C10H14IN
MolecularWeight:
275.12933
MdlNumber:
MFCD09743667
Smiles:
Nc1ccc(cc1I)C(C)(C)C
Complexity:
150
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
3.6