AB54114
97914-59-5 | 2-(Difluoromethoxy)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB54114
ChemicalName
2-(Difluoromethoxy)benzoic acid
CasNumber
97914-59-5
MolecularFormula
C8H6F2O3
MolecularWeight
188.1282
MdlNumber
MFCD00236223
Smiles
FC(Oc1ccccc1C(=O)O)F
Complexity
184
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.5
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CatalogNumber: AB54114
ChemicalName: 2-(Difluoromethoxy)benzoic acid
CasNumber: 97914-59-5
MolecularFormula: C8H6F2O3
MolecularWeight: 188.1282
MdlNumber: MFCD00236223
Smiles: FC(Oc1ccccc1C(=O)O)F
Complexity: 184
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AB54114
ChemicalName:
2-(Difluoromethoxy)benzoic acid
CasNumber:
97914-59-5
MolecularFormula:
C8H6F2O3
MolecularWeight:
188.1282
MdlNumber:
MFCD00236223
Smiles:
FC(Oc1ccccc1C(=O)O)F
Complexity:
184
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=C)C(=O)OCCOP(=O)(OCC[N+](C)(C)C)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=C)C(=O)OCCOP(=O)(OCC[N+](C)(C)C)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CSc1ccccc1N
Complexity: 85
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CSc1ccccc1N
Complexity:
85
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.8
CatalogNumber: AB54117
ChemicalName: 2-(Methylthio)pyrazine
CasNumber: 21948-70-9
MolecularFormula: C5H6N2S
MolecularWeight: 126.1795
MdlNumber: MFCD00013759
Smiles: CSc1cnccn1
Complexity: 67.4
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AB54117
ChemicalName:
2-(Methylthio)pyrazine
CasNumber:
21948-70-9
MolecularFormula:
C5H6N2S
MolecularWeight:
126.1795
MdlNumber:
MFCD00013759
Smiles:
CSc1cnccn1
Complexity:
67.4
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
1.2