AB50538
118183-92-9 | 3-(4-Bromophenyl)-5-methyl-1,2,4-oxadiazole
Manufacturer: A2B Chem
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CatalogNumber
AB50538
ChemicalName
3-(4-Bromophenyl)-5-methyl-1,2,4-oxadiazole
CasNumber
118183-92-9
MolecularFormula
C9H7BrN2O
MolecularWeight
239.0687
MdlNumber
MFCD00487341
Smiles
Brc1ccc(cc1)c1noc(n1)C
Complexity
171
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
3.1
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CatalogNumber: AB50538
ChemicalName: 3-(4-Bromophenyl)-5-methyl-1,2,4-oxadiazole
CasNumber: 118183-92-9
MolecularFormula: C9H7BrN2O
MolecularWeight: 239.0687
MdlNumber: MFCD00487341
Smiles: Brc1ccc(cc1)c1noc(n1)C
Complexity: 171
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 3.1
CatalogNumber:
AB50538
ChemicalName:
3-(4-Bromophenyl)-5-methyl-1,2,4-oxadiazole
CasNumber:
118183-92-9
MolecularFormula:
C9H7BrN2O
MolecularWeight:
239.0687
MdlNumber:
MFCD00487341
Smiles:
Brc1ccc(cc1)c1noc(n1)C
Complexity:
171
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cc2C(=O)OC(=O)c3c2c2c1c1ccc4c5c1c(c2cc3)c(cc5C(=O)OC4=O)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cc2C(=O)OC(=O)c3c2c2c1c1ccc4c5c1c(c2cc3)c(cc5C(=O)OC4=O)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CC1=C(C)C(=CC2=NC(=Cc3[nH]c(c(c3CCC(=O)O)C)C=C3NC(=O)C(=C3C=C)C)C(=C2C)CCC(=O)O)NC1=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CC1=C(C)C(=CC2=NC(=Cc3[nH]c(c(c3CCC(=O)O)C)C=C3NC(=O)C(=C3C=C)C)C(=C2C)CCC(=O)O)NC1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CO[C@H]1C[C@@H](O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C)O[C@H]1[C@@H](C)/C=C/C=C/2CO[C@H]3[C@]2(O)[C@@H](C=C([C@H]3O)C)C(=O)O[C@H]2C[C@@H](C/C=C/1C)O[C@]1(C2)C=C[C@@H]([C@H](O1)C1CCCCC1)C
Complexity: 1790
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 4.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CO[C@H]1C[C@@H](O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C)O[C@H]1[C@@H](C)/C=C/C=C/2CO[C@H]3[C@]2(O)[C@@H](C=C([C@H]3O)C)C(=O)O[C@H]2C[C@@H](C/C=C/1C)O[C@]1(C2)C=C[C@@H]([C@H](O1)C1CCCCC1)C
Complexity:
1790
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
4.5