AI63987
951885-34-0 | 5-(2,3-Dichlorophenyl)oxazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI63987
ChemicalName
5-(2,3-Dichlorophenyl)oxazole-4-carboxylic acid
CasNumber
951885-34-0
MolecularFormula
C10H5Cl2NO3
MolecularWeight
258.0576
MdlNumber
MFCD07376179
Smiles
OC(=O)c1ncoc1c1cccc(c1Cl)Cl
Complexity
277
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.1
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CatalogNumber: AI63987
ChemicalName: 5-(2,3-Dichlorophenyl)oxazole-4-carboxylic acid
CasNumber: 951885-34-0
MolecularFormula: C10H5Cl2NO3
MolecularWeight: 258.0576
MdlNumber: MFCD07376179
Smiles: OC(=O)c1ncoc1c1cccc(c1Cl)Cl
Complexity: 277
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AI63987
ChemicalName:
5-(2,3-Dichlorophenyl)oxazole-4-carboxylic acid
CasNumber:
951885-34-0
MolecularFormula:
C10H5Cl2NO3
MolecularWeight:
258.0576
MdlNumber:
MFCD07376179
Smiles:
OC(=O)c1ncoc1c1cccc(c1Cl)Cl
Complexity:
277
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cccc(c1)CC12OCC(CO1)(CO2)C
Complexity: 270
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cccc(c1)CC12OCC(CO1)(CO2)C
Complexity:
270
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.7
CatalogNumber: AI63989
ChemicalName: 4-Bromo-3'-fluorobenzophenone
CasNumber: 951885-68-0
MolecularFormula: C13H8BrFO
MolecularWeight: 279.1044
MdlNumber: MFCD09801600
Smiles: Brc1ccc(cc1)C(=O)c1cccc(c1)F
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 4.1
CatalogNumber:
AI63989
ChemicalName:
4-Bromo-3'-fluorobenzophenone
CasNumber:
951885-68-0
MolecularFormula:
C13H8BrFO
MolecularWeight:
279.1044
MdlNumber:
MFCD09801600
Smiles:
Brc1ccc(cc1)C(=O)c1cccc(c1)F
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
4.1
CatalogNumber: AI63990
ChemicalName: 6-Bromo-N-ethylnicotinamide
CasNumber: 951885-70-4
MolecularFormula: C8H9BrN2O
MolecularWeight: 229.0739
MdlNumber: MFCD09878426
Smiles: CCNC(=O)c1ccc(nc1)Br
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AI63990
ChemicalName:
6-Bromo-N-ethylnicotinamide
CasNumber:
951885-70-4
MolecularFormula:
C8H9BrN2O
MolecularWeight:
229.0739
MdlNumber:
MFCD09878426
Smiles:
CCNC(=O)c1ccc(nc1)Br
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.3