AI40394
1820639-99-3 | 3-Fluoro-4-piperazinobenzoic acid HCl
Manufacturer: A2B Chem
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CatalogNumber
AI40394
ChemicalName
3-Fluoro-4-piperazinobenzoic acid HCl
CasNumber
1820639-99-3
MolecularFormula
C11H14ClFN2O2
MolecularWeight
260.6925
MdlNumber
MFCD28385188
Smiles
Fc1cc(ccc1N1CCNCC1)C(=O)O.Cl
Complexity
256
Covalently-bondedUnitCount
2
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
2
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CatalogNumber: AI40394
ChemicalName: 3-Fluoro-4-piperazinobenzoic acid HCl
CasNumber: 1820639-99-3
MolecularFormula: C11H14ClFN2O2
MolecularWeight: 260.6925
MdlNumber: MFCD28385188
Smiles: Fc1cc(ccc1N1CCNCC1)C(=O)O.Cl
Complexity: 256
Covalently-bondedUnitCount: 2
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 2
CatalogNumber:
AI40394
ChemicalName:
3-Fluoro-4-piperazinobenzoic acid HCl
CasNumber:
1820639-99-3
MolecularFormula:
C11H14ClFN2O2
MolecularWeight:
260.6925
MdlNumber:
MFCD28385188
Smiles:
Fc1cc(ccc1N1CCNCC1)C(=O)O.Cl
Complexity:
256
Covalently-bondedUnitCount:
2
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
2
CatalogNumber: __
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MolecularFormula: __
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Smiles: COC(=O)c1ccc(cc1F)c1ccccc1C=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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CasNumber:
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Smiles:
COC(=O)c1ccc(cc1F)c1ccccc1C=O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: COC(=O)c1ccc(cc1F)c1ccc(c(c1)F)F
Complexity: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COC(=O)c1ccc(cc1F)c1ccc(c(c1)F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cccc(c1)c1ccc(c(c1)F)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cccc(c1)c1ccc(c(c1)F)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__