AF87917
378231-19-7 | Methyl 2-chloro-3-(trifluoromethyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AF87917
ChemicalName
Methyl 2-chloro-3-(trifluoromethyl)benzoate
CasNumber
378231-19-7
MolecularFormula
C9H6ClF3O2
MolecularWeight
238.5909
MdlNumber
MFCD06203770
Smiles
COC(=O)c1cccc(c1Cl)C(F)(F)F
Complexity
242
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
3.3
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CatalogNumber: AF87917
ChemicalName: Methyl 2-chloro-3-(trifluoromethyl)benzoate
CasNumber: 378231-19-7
MolecularFormula: C9H6ClF3O2
MolecularWeight: 238.5909
MdlNumber: MFCD06203770
Smiles: COC(=O)c1cccc(c1Cl)C(F)(F)F
Complexity: 242
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AF87917
ChemicalName:
Methyl 2-chloro-3-(trifluoromethyl)benzoate
CasNumber:
378231-19-7
MolecularFormula:
C9H6ClF3O2
MolecularWeight:
238.5909
MdlNumber:
MFCD06203770
Smiles:
COC(=O)c1cccc(c1Cl)C(F)(F)F
Complexity:
242
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
3.3
CatalogNumber: AF87918
ChemicalName: Methyl 3-chloro-5-fluorobenzoate
CasNumber: 327056-75-7
MolecularFormula: C8H6ClFO2
MolecularWeight: 188.5834
MdlNumber: MFCD06204128
Smiles: COC(=O)c1cc(F)cc(c1)Cl
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AF87918
ChemicalName:
Methyl 3-chloro-5-fluorobenzoate
CasNumber:
327056-75-7
MolecularFormula:
C8H6ClFO2
MolecularWeight:
188.5834
MdlNumber:
MFCD06204128
Smiles:
COC(=O)c1cc(F)cc(c1)Cl
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.9
CatalogNumber: AF87919
ChemicalName: 4-Borono-N-methylpyridinium iodide
CasNumber: 362045-65-6
MolecularFormula: C6H9BINO2
MolecularWeight: 264.8566
MdlNumber: MFCD09952978
Smiles: OB(c1cc[n+](cc1)C)O.[I-]
Complexity: 102
Covalently-bondedUnitCount: 2
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AF87919
ChemicalName:
4-Borono-N-methylpyridinium iodide
CasNumber:
362045-65-6
MolecularFormula:
C6H9BINO2
MolecularWeight:
264.8566
MdlNumber:
MFCD09952978
Smiles:
OB(c1cc[n+](cc1)C)O.[I-]
Complexity:
102
Covalently-bondedUnitCount:
2
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: AF87920
ChemicalName: 2-Methoxypyrimidine-5-carbonitrile
CasNumber: 38373-47-6
MolecularFormula: C6H5N3O
MolecularWeight: 135.1234
MdlNumber: MFCD11840202
Smiles: COc1ncc(cn1)C#N
Complexity: 142
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 0.2
CatalogNumber:
AF87920
ChemicalName:
2-Methoxypyrimidine-5-carbonitrile
CasNumber:
38373-47-6
MolecularFormula:
C6H5N3O
MolecularWeight:
135.1234
MdlNumber:
MFCD11840202
Smiles:
COc1ncc(cn1)C#N
Complexity:
142
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
0.2