AB49850
5001-96-7 | 2-(2-Fluoro-[1,1'-biphenyl]-4-yl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AB49850
ChemicalName
2-(2-Fluoro-[1,1'-biphenyl]-4-yl)acetic acid
CasNumber
5001-96-7
MolecularFormula
C14H11FO2
MolecularWeight
230.2343
MdlNumber
MFCD09840622
Smiles
OC(=O)Cc1ccc(c(c1)F)c1ccccc1
Complexity
261
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.6
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CatalogNumber: AB49850
ChemicalName: 2-(2-Fluoro-[1,1'-biphenyl]-4-yl)acetic acid
CasNumber: 5001-96-7
MolecularFormula: C14H11FO2
MolecularWeight: 230.2343
MdlNumber: MFCD09840622
Smiles: OC(=O)Cc1ccc(c(c1)F)c1ccccc1
Complexity: 261
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.6
CatalogNumber:
AB49850
ChemicalName:
2-(2-Fluoro-[1,1'-biphenyl]-4-yl)acetic acid
CasNumber:
5001-96-7
MolecularFormula:
C14H11FO2
MolecularWeight:
230.2343
MdlNumber:
MFCD09840622
Smiles:
OC(=O)Cc1ccc(c(c1)F)c1ccccc1
Complexity:
261
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)O.[Na+]
Complexity: 33.9
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(=O)O.[Na+]
Complexity:
33.9
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB49852
ChemicalName: (H-Cys-OEt)2 2HCl
CasNumber: 22735-07-5
MolecularFormula: C10H22Cl2N2O4S2
MolecularWeight: 369.3287
MdlNumber: MFCD00237451
Smiles: CCOC(=O)[C@H](CSSC[C@@H](C(=O)OCC)N)N.Cl.Cl
Complexity: 240
Covalently-bondedUnitCount: 3
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 4
RotatableBondCount: 11
Xlogp3: __
CatalogNumber:
AB49852
ChemicalName:
(H-Cys-OEt)2 2HCl
CasNumber:
22735-07-5
MolecularFormula:
C10H22Cl2N2O4S2
MolecularWeight:
369.3287
MdlNumber:
MFCD00237451
Smiles:
CCOC(=O)[C@H](CSSC[C@@H](C(=O)OCC)N)N.Cl.Cl
Complexity:
240
Covalently-bondedUnitCount:
3
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
4
RotatableBondCount:
11
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1SCC(=O)N1C(CCc1ccncc1)COc1ccc(cc1)c1cccc(c1)[N+](=O)[O-]
Complexity: 688
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1SCC(=O)N1C(CCc1ccncc1)COc1ccc(cc1)c1cccc(c1)[N+](=O)[O-]
Complexity:
688
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.7