AA79369
157337-81-0 | 2,4-Difluoro-3-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA79369
ChemicalName
2,4-Difluoro-3-(trifluoromethyl)benzoic acid
CasNumber
157337-81-0
MolecularFormula
C8H3F5O2
MolecularWeight
226.1002
MdlNumber
MFCD12827981
Smiles
OC(=O)c1ccc(c(c1F)C(F)(F)F)F
Complexity
252
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.5
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CatalogNumber: AA79369
ChemicalName: 2,4-Difluoro-3-(trifluoromethyl)benzoic acid
CasNumber: 157337-81-0
MolecularFormula: C8H3F5O2
MolecularWeight: 226.1002
MdlNumber: MFCD12827981
Smiles: OC(=O)c1ccc(c(c1F)C(F)(F)F)F
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AA79369
ChemicalName:
2,4-Difluoro-3-(trifluoromethyl)benzoic acid
CasNumber:
157337-81-0
MolecularFormula:
C8H3F5O2
MolecularWeight:
226.1002
MdlNumber:
MFCD12827981
Smiles:
OC(=O)c1ccc(c(c1F)C(F)(F)F)F
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.5
CatalogNumber: AA79371
ChemicalName: 5-Bromo-4,6-dimethylpyrimidine
CasNumber: 157335-97-2
MolecularFormula: C6H7BrN2
MolecularWeight: 187.0372
MdlNumber: MFCD08059561
Smiles: Cc1ncnc(c1Br)C
Complexity: 87.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.7
CatalogNumber:
AA79371
ChemicalName:
5-Bromo-4,6-dimethylpyrimidine
CasNumber:
157335-97-2
MolecularFormula:
C6H7BrN2
MolecularWeight:
187.0372
MdlNumber:
MFCD08059561
Smiles:
Cc1ncnc(c1Br)C
Complexity:
87.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1c(C)ncnc1C
Complexity: 151
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1c(C)ncnc1C
Complexity:
151
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.5
CatalogNumber: AA79373
ChemicalName: 4-Methylpyrimidine-5-carboxylic acid
CasNumber: 157335-92-7
MolecularFormula: C6H6N2O2
MolecularWeight: 138.124
MdlNumber: MFCD08361632
Smiles: OC(=O)c1cncnc1C
Complexity: 138
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.1
CatalogNumber:
AA79373
ChemicalName:
4-Methylpyrimidine-5-carboxylic acid
CasNumber:
157335-92-7
MolecularFormula:
C6H6N2O2
MolecularWeight:
138.124
MdlNumber:
MFCD08361632
Smiles:
OC(=O)c1cncnc1C
Complexity:
138
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.1