AI51458
51067-06-2 | 3-(4-Bromophenyl)-4,5-dihydro-1,2-oxazole
Manufacturer: A2B Chem
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CatalogNumber
AI51458
ChemicalName
3-(4-Bromophenyl)-4,5-dihydro-1,2-oxazole
CasNumber
51067-06-2
MolecularFormula
C9H8BrNO
MolecularWeight
226.06992000000005
MdlNumber
MFCD26395060
Smiles
Brc1ccc(cc1)C1=NOCC1
Complexity
185
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
2.5
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CatalogNumber: AI51458
ChemicalName: 3-(4-Bromophenyl)-4,5-dihydro-1,2-oxazole
CasNumber: 51067-06-2
MolecularFormula: C9H8BrNO
MolecularWeight: 226.06992000000005
MdlNumber: MFCD26395060
Smiles: Brc1ccc(cc1)C1=NOCC1
Complexity: 185
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AI51458
ChemicalName:
3-(4-Bromophenyl)-4,5-dihydro-1,2-oxazole
CasNumber:
51067-06-2
MolecularFormula:
C9H8BrNO
MolecularWeight:
226.06992000000005
MdlNumber:
MFCD26395060
Smiles:
Brc1ccc(cc1)C1=NOCC1
Complexity:
185
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2.5
CatalogNumber: AI51459
ChemicalName: 3-Cyano-2-methylindole
CasNumber: 51072-83-4
MolecularFormula: C10H8N2
MolecularWeight: 156.1839
MdlNumber: MFCD01475745
Smiles: N#Cc1c(C)[nH]c2c1cccc2
Complexity: 215
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
AI51459
ChemicalName:
3-Cyano-2-methylindole
CasNumber:
51072-83-4
MolecularFormula:
C10H8N2
MolecularWeight:
156.1839
MdlNumber:
MFCD01475745
Smiles:
N#Cc1c(C)[nH]c2c1cccc2
Complexity:
215
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
RotatableBondCount:
__
Xlogp3:
2.2
CatalogNumber: AI51460
ChemicalName: 1,2-Dimethyl-1H-indole-3-carbonitrile
CasNumber: 51072-84-5
MolecularFormula: C11H10N2
MolecularWeight: 170.2105
MdlNumber: MFCD00460785
Smiles: N#Cc1c(C)n(c2c1cccc2)C
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
RotatableBondCount: __
Xlogp3: 2.1
CatalogNumber:
AI51460
ChemicalName:
1,2-Dimethyl-1H-indole-3-carbonitrile
CasNumber:
51072-84-5
MolecularFormula:
C11H10N2
MolecularWeight:
170.2105
MdlNumber:
MFCD00460785
Smiles:
N#Cc1c(C)n(c2c1cccc2)C
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
RotatableBondCount:
__
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1coc2c(c1=O)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1coc2c(c1=O)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__