AB17037
206360-56-7 | 2,2-Difluoro-2-(4-nitrophenyl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AB17037
ChemicalName
2,2-Difluoro-2-(4-nitrophenyl)acetic acid
CasNumber
206360-56-7
MolecularFormula
C8H5F2NO4
MolecularWeight
217.1264064
MdlNumber
MFCD11504878
Smiles
OC(=O)C(c1ccc(cc1)[N+](=O)[O-])(F)F
Complexity
268
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.9
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CatalogNumber: AB17037
ChemicalName: 2,2-Difluoro-2-(4-nitrophenyl)acetic acid
CasNumber: 206360-56-7
MolecularFormula: C8H5F2NO4
MolecularWeight: 217.1264064
MdlNumber: MFCD11504878
Smiles: OC(=O)C(c1ccc(cc1)[N+](=O)[O-])(F)F
Complexity: 268
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AB17037
ChemicalName:
2,2-Difluoro-2-(4-nitrophenyl)acetic acid
CasNumber:
206360-56-7
MolecularFormula:
C8H5F2NO4
MolecularWeight:
217.1264064
MdlNumber:
MFCD11504878
Smiles:
OC(=O)C(c1ccc(cc1)[N+](=O)[O-])(F)F
Complexity:
268
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.9
CatalogNumber: __
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MolecularFormula: __
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Smiles: Oc1ccc2c(c1)oc(c(c2=O)O)c1ccccc1.O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Oc1ccc2c(c1)oc(c(c2=O)O)c1ccccc1.O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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MolecularFormula: __
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Smiles: Nc1cc(ccc1O)C1(c2ccc(c(c2)N)O)c2ccccc2-c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
Nc1cc(ccc1O)C1(c2ccc(c(c2)N)O)c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: COC(COC)COC
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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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:
COC(COC)COC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__