AG66524
656-46-2 | 2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG66524
ChemicalName
2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid
CasNumber
656-46-2
MolecularFormula
C8H4F2O4
MolecularWeight
202.1118
MdlNumber
MFCD00792417
Smiles
OC(=O)c1ccc2c(c1)OC(O2)(F)F
Complexity
256
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.2
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CatalogNumber: AG66524
ChemicalName: 2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid
CasNumber: 656-46-2
MolecularFormula: C8H4F2O4
MolecularWeight: 202.1118
MdlNumber: MFCD00792417
Smiles: OC(=O)c1ccc2c(c1)OC(O2)(F)F
Complexity: 256
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AG66524
ChemicalName:
2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid
CasNumber:
656-46-2
MolecularFormula:
C8H4F2O4
MolecularWeight:
202.1118
MdlNumber:
MFCD00792417
Smiles:
OC(=O)c1ccc2c(c1)OC(O2)(F)F
Complexity:
256
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C1(CCCC1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C1(CCCC1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC1CCS(=O)(=O)C1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC1CCS(=O)(=O)C1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cccc(c1)c1ncccn1
Complexity: 227
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cccc(c1)c1ncccn1
Complexity:
227
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.4