AG32026
478374-76-4 | Methyl 5-bromo-2-fluoro-4-methylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AG32026
ChemicalName
Methyl 5-bromo-2-fluoro-4-methylbenzoate
CasNumber
478374-76-4
MolecularFormula
C9H8BrFO2
MolecularWeight
247.061
MdlNumber
MFCD23703144
Smiles
COC(=O)c1cc(Br)c(cc1F)C
Complexity
198
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
2.9
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CatalogNumber: AG32026
ChemicalName: Methyl 5-bromo-2-fluoro-4-methylbenzoate
CasNumber: 478374-76-4
MolecularFormula: C9H8BrFO2
MolecularWeight: 247.061
MdlNumber: MFCD23703144
Smiles: COC(=O)c1cc(Br)c(cc1F)C
Complexity: 198
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AG32026
ChemicalName:
Methyl 5-bromo-2-fluoro-4-methylbenzoate
CasNumber:
478374-76-4
MolecularFormula:
C9H8BrFO2
MolecularWeight:
247.061
MdlNumber:
MFCD23703144
Smiles:
COC(=O)c1cc(Br)c(cc1F)C
Complexity:
198
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.9
CatalogNumber: AG32027
ChemicalName: 8-(tert-Butoxycarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
CasNumber: 479636-66-3
MolecularFormula: C13H20N2O5
MolecularWeight: 284.3083
MdlNumber: MFCD12198539
Smiles: O=C(N1CCC2(CC1)ON=C(C2)C(=O)O)OC(C)(C)C
Complexity: 444
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
Xlogp3: 1
CatalogNumber:
AG32027
ChemicalName:
8-(tert-Butoxycarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
CasNumber:
479636-66-3
MolecularFormula:
C13H20N2O5
MolecularWeight:
284.3083
MdlNumber:
MFCD12198539
Smiles:
O=C(N1CCC2(CC1)ON=C(C2)C(=O)O)OC(C)(C)C
Complexity:
444
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
Xlogp3:
1
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Smiles: Brc1ccc2c(c1)cc(cc2)C(=O)O
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Smiles:
Brc1ccc2c(c1)cc(cc2)C(=O)O
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Smiles: Cn1cnc2c1CCNC2.Cl.Cl
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Smiles:
Cn1cnc2c1CCNC2.Cl.Cl
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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