AI61871
925005-78-3 | 6-Fluoro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one
Manufacturer: A2B Chem
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CatalogNumber
AI61871
ChemicalName
6-Fluoro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one
CasNumber
925005-78-3
MolecularFormula
C9H8FNO2
MolecularWeight
181.1637
MdlNumber
MFCD08446952
Smiles
O=C1Nc2cc(F)ccc2OC1C
Complexity
222
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
1.4
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CatalogNumber: AI61871
ChemicalName: 6-Fluoro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one
CasNumber: 925005-78-3
MolecularFormula: C9H8FNO2
MolecularWeight: 181.1637
MdlNumber: MFCD08446952
Smiles: O=C1Nc2cc(F)ccc2OC1C
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.4
CatalogNumber:
AI61871
ChemicalName:
6-Fluoro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one
CasNumber:
925005-78-3
MolecularFormula:
C9H8FNO2
MolecularWeight:
181.1637
MdlNumber:
MFCD08446952
Smiles:
O=C1Nc2cc(F)ccc2OC1C
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.4
CatalogNumber: AI61872
ChemicalName: Ethyl 5-(4-methoxyphenyl)-isoxazole-3-carboxylate
CasNumber: 925006-96-8
MolecularFormula: C13H13NO4
MolecularWeight: 247.24662
MdlNumber: MFCD08446406
Smiles: CCOC(=O)c1noc(c1)c1ccc(cc1)OC
Complexity: 276
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.6
CatalogNumber:
AI61872
ChemicalName:
Ethyl 5-(4-methoxyphenyl)-isoxazole-3-carboxylate
CasNumber:
925006-96-8
MolecularFormula:
C13H13NO4
MolecularWeight:
247.24662
MdlNumber:
MFCD08446406
Smiles:
CCOC(=O)c1noc(c1)c1ccc(cc1)OC
Complexity:
276
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC1CCCCC1=O.Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC1CCCCC1=O.Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc2c(c1)cc(c(n2)C)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc2c(c1)cc(c(n2)C)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__