AD31898
195436-88-5 | 2-(4-Iodo-phenyl)-oxazole
Manufacturer: A2B Chem
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CatalogNumber
AD31898
ChemicalName
2-(4-Iodo-phenyl)-oxazole
CasNumber
195436-88-5
MolecularFormula
C9H6INO
MolecularWeight
271.0545
MdlNumber
MFCD04973402
Smiles
Ic1ccc(cc1)c1ncco1
Complexity
146
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
2.6
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CatalogNumber: AD31898
ChemicalName: 2-(4-Iodo-phenyl)-oxazole
CasNumber: 195436-88-5
MolecularFormula: C9H6INO
MolecularWeight: 271.0545
MdlNumber: MFCD04973402
Smiles: Ic1ccc(cc1)c1ncco1
Complexity: 146
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AD31898
ChemicalName:
2-(4-Iodo-phenyl)-oxazole
CasNumber:
195436-88-5
MolecularFormula:
C9H6INO
MolecularWeight:
271.0545
MdlNumber:
MFCD04973402
Smiles:
Ic1ccc(cc1)c1ncco1
Complexity:
146
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N[C@H](C(=O)O)Cc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O)OCC1c2ccccc2c2c1cccc2
Complexity: 798
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 4.5
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
O=C(N[C@H](C(=O)O)Cc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O)OCC1c2ccccc2c2c1cccc2
Complexity:
798
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
4.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCn1cnc2c1cc(C)c(c2)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCn1cnc2c1cc(C)c(c2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(Nc1ccc(cc1)CCN1CN(C2(C1=O)CCN(CC2)CCCC(=O)c1ccc(cc1)F)c1ccccc1)CCc1ccc2n1[B-](F)(F)[N+]1=C(C)C=C(C1=C2)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(Nc1ccc(cc1)CCN1CN(C2(C1=O)CCN(CC2)CCCC(=O)c1ccc(cc1)F)c1ccccc1)CCc1ccc2n1[B-](F)(F)[N+]1=C(C)C=C(C1=C2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__