AD75273
112857-68-8 | 2,4-Difluoro-3-methylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD75273
ChemicalName
2,4-Difluoro-3-methylbenzoic acid
CasNumber
112857-68-8
MolecularFormula
C8H6F2O2
MolecularWeight
172.1288
MdlNumber
MFCD03265223
Smiles
OC(=O)c1ccc(c(c1F)C)F
Complexity
184
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2
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CatalogNumber: AD75273
ChemicalName: 2,4-Difluoro-3-methylbenzoic acid
CasNumber: 112857-68-8
MolecularFormula: C8H6F2O2
MolecularWeight: 172.1288
MdlNumber: MFCD03265223
Smiles: OC(=O)c1ccc(c(c1F)C)F
Complexity: 184
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AD75273
ChemicalName:
2,4-Difluoro-3-methylbenzoic acid
CasNumber:
112857-68-8
MolecularFormula:
C8H6F2O2
MolecularWeight:
172.1288
MdlNumber:
MFCD03265223
Smiles:
OC(=O)c1ccc(c(c1F)C)F
Complexity:
184
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: COc1ccc(cc1NC(=O)CC(=O)C)NC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
COc1ccc(cc1NC(=O)CC(=O)C)NC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: CC(=O)CSc1nc2c(o1)cccc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CC(=O)CSc1nc2c(o1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: c1ccc2c(c1)C=C(CC2)c1nc2c(o1)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
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:
c1ccc2c(c1)C=C(CC2)c1nc2c(o1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__