AB99752
882689-88-5 | 1-[(4-Bromo-2-fluorophenyl)carbonyl]pyrrolidine
Manufacturer: A2B Chem
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CatalogNumber
AB99752
ChemicalName
1-[(4-Bromo-2-fluorophenyl)carbonyl]pyrrolidine
CasNumber
882689-88-5
MolecularFormula
C11H11BrFNO
MolecularWeight
272.1135
MdlNumber
MFCD09950408
Smiles
Brc1ccc(c(c1)F)C(=O)N1CCCC1
Complexity
243
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
2.7
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CatalogNumber: AB99752
ChemicalName: 1-[(4-Bromo-2-fluorophenyl)carbonyl]pyrrolidine
CasNumber: 882689-88-5
MolecularFormula: C11H11BrFNO
MolecularWeight: 272.1135
MdlNumber: MFCD09950408
Smiles: Brc1ccc(c(c1)F)C(=O)N1CCCC1
Complexity: 243
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2.7
CatalogNumber:
AB99752
ChemicalName:
1-[(4-Bromo-2-fluorophenyl)carbonyl]pyrrolidine
CasNumber:
882689-88-5
MolecularFormula:
C11H11BrFNO
MolecularWeight:
272.1135
MdlNumber:
MFCD09950408
Smiles:
Brc1ccc(c(c1)F)C(=O)N1CCCC1
Complexity:
243
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2.7
CatalogNumber: AB99759
ChemicalName: 5-Methoxycarbonyl-2-methylphenylboronic acid pinacol ester
CasNumber: 882679-40-5
MolecularFormula: C15H21BO4
MolecularWeight: 276.1358
MdlNumber: MFCD11520530
Smiles: COC(=O)c1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)C
Complexity: 364
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AB99759
ChemicalName:
5-Methoxycarbonyl-2-methylphenylboronic acid pinacol ester
CasNumber:
882679-40-5
MolecularFormula:
C15H21BO4
MolecularWeight:
276.1358
MdlNumber:
MFCD11520530
Smiles:
COC(=O)c1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)C
Complexity:
364
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
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Smiles: CC#CCC(C(/C=C/C1C(O)CC2C1c1cccc(c1O2)CCCC(=O)[O-])O)C.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
CC#CCC(C(/C=C/C1C(O)CC2C1c1cccc(c1O2)CCCC(=O)[O-])O)C.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: COc1nc(C)nc(c1N)Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
COc1nc(C)nc(c1N)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__