AE08125
1048921-49-8 | 2,6-Difluoro-3-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE08125
ChemicalName
2,6-Difluoro-3-(trifluoromethyl)benzoic acid
CasNumber
1048921-49-8
MolecularFormula
C8H3F5O2
MolecularWeight
226.1002
MdlNumber
MFCD03412249
Smiles
OC(=O)c1c(F)ccc(c1F)C(F)(F)F
Complexity
252
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.5
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CatalogNumber: AE08125
ChemicalName: 2,6-Difluoro-3-(trifluoromethyl)benzoic acid
CasNumber: 1048921-49-8
MolecularFormula: C8H3F5O2
MolecularWeight: 226.1002
MdlNumber: MFCD03412249
Smiles: OC(=O)c1c(F)ccc(c1F)C(F)(F)F
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AE08125
ChemicalName:
2,6-Difluoro-3-(trifluoromethyl)benzoic acid
CasNumber:
1048921-49-8
MolecularFormula:
C8H3F5O2
MolecularWeight:
226.1002
MdlNumber:
MFCD03412249
Smiles:
OC(=O)c1c(F)ccc(c1F)C(F)(F)F
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.5
CatalogNumber: __
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Smiles: O=C1C=CC2(C1=CCC2=O)OS(=O)(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C1C=CC2(C1=CCC2=O)OS(=O)(=O)O
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Smiles: OC[C@@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)CNC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](Cc1ccc(cc1)O)N
Complexity: __
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HeavyAtomCount: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
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Smiles:
OC[C@@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)CNC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](Cc1ccc(cc1)O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__
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Smiles: CCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCC)COP(=O)(OC[C@H](CO)O)[O-].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCC)COP(=O)(OC[C@H](CO)O)[O-].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__