AG17928
53985-48-1 | 3-methoxy-5-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG17928
ChemicalName
3-methoxy-5-(trifluoromethyl)benzoic acid
CasNumber
53985-48-1
MolecularFormula
C9H7F3O3
MolecularWeight
220.1453
MdlNumber
MFCD09025409
Smiles
COc1cc(cc(c1)C(F)(F)F)C(=O)O
Complexity
239
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.3
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CatalogNumber: AG17928
ChemicalName: 3-methoxy-5-(trifluoromethyl)benzoic acid
CasNumber: 53985-48-1
MolecularFormula: C9H7F3O3
MolecularWeight: 220.1453
MdlNumber: MFCD09025409
Smiles: COc1cc(cc(c1)C(F)(F)F)C(=O)O
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AG17928
ChemicalName:
3-methoxy-5-(trifluoromethyl)benzoic acid
CasNumber:
53985-48-1
MolecularFormula:
C9H7F3O3
MolecularWeight:
220.1453
MdlNumber:
MFCD09025409
Smiles:
COc1cc(cc(c1)C(F)(F)F)C(=O)O
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.3
CatalogNumber: AG17929
ChemicalName: 2-Fluoro-3-methoxybenzyl bromide
CasNumber: 447463-56-1
MolecularFormula: C8H8BrFO
MolecularWeight: 219.0509
MdlNumber: MFCD09743597
Smiles: BrCc1cccc(c1F)OC
Complexity: 121
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AG17929
ChemicalName:
2-Fluoro-3-methoxybenzyl bromide
CasNumber:
447463-56-1
MolecularFormula:
C8H8BrFO
MolecularWeight:
219.0509
MdlNumber:
MFCD09743597
Smiles:
BrCc1cccc(c1F)OC
Complexity:
121
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.6
CatalogNumber: AG17930
ChemicalName: Methyl 2-chloro-6-methylnicotinate
CasNumber: 53277-47-7
MolecularFormula: C8H8ClNO2
MolecularWeight: 185.6076
MdlNumber: MFCD11845763
Smiles: COC(=O)c1ccc(nc1Cl)C
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AG17930
ChemicalName:
Methyl 2-chloro-6-methylnicotinate
CasNumber:
53277-47-7
MolecularFormula:
C8H8ClNO2
MolecularWeight:
185.6076
MdlNumber:
MFCD11845763
Smiles:
COC(=O)c1ccc(nc1Cl)C
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: AG17931
ChemicalName: 5-Chloropyridine-3-carboxylic acid methyl ester
CasNumber: 51269-81-9
MolecularFormula: C7H6ClNO2
MolecularWeight: 171.581
MdlNumber: MFCD09702467
Smiles: COC(=O)c1cncc(c1)Cl
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AG17931
ChemicalName:
5-Chloropyridine-3-carboxylic acid methyl ester
CasNumber:
51269-81-9
MolecularFormula:
C7H6ClNO2
MolecularWeight:
171.581
MdlNumber:
MFCD09702467
Smiles:
COC(=O)c1cncc(c1)Cl
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
1.3