AE62251
1402238-26-9 | 3-Chloro-4-fluoro-5-methylphenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AE62251
ChemicalName
3-Chloro-4-fluoro-5-methylphenylboronic acid, pinacol ester
CasNumber
1402238-26-9
MolecularFormula
C13H17BClFO2
MolecularWeight
270.5353
MdlNumber
MFCD20231468
Smiles
Cc1cc(cc(c1F)Cl)B1OC(C(O1)(C)C)(C)C
Complexity
308
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
RotatableBondCount
1
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CatalogNumber: AE62251
ChemicalName: 3-Chloro-4-fluoro-5-methylphenylboronic acid, pinacol ester
CasNumber: 1402238-26-9
MolecularFormula: C13H17BClFO2
MolecularWeight: 270.5353
MdlNumber: MFCD20231468
Smiles: Cc1cc(cc(c1F)Cl)B1OC(C(O1)(C)C)(C)C
Complexity: 308
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
CatalogNumber:
AE62251
ChemicalName:
3-Chloro-4-fluoro-5-methylphenylboronic acid, pinacol ester
CasNumber:
1402238-26-9
MolecularFormula:
C13H17BClFO2
MolecularWeight:
270.5353
MdlNumber:
MFCD20231468
Smiles:
Cc1cc(cc(c1F)Cl)B1OC(C(O1)(C)C)(C)C
Complexity:
308
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cc(ccc1c1ccccc1C)C(=O)O
Complexity: 279
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cc(ccc1c1ccccc1C)C(=O)O
Complexity:
279
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
CatalogNumber: AE62253
ChemicalName: 3-(2-Fluorophenyl)-4-fluorobenzoic acid
CasNumber: 1214340-35-8
MolecularFormula: C13H8F2O2
MolecularWeight: 234.1982
MdlNumber: MFCD14699218
Smiles: OC(=O)c1ccc(c(c1)c1ccccc1F)F
Complexity: 283
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
CatalogNumber:
AE62253
ChemicalName:
3-(2-Fluorophenyl)-4-fluorobenzoic acid
CasNumber:
1214340-35-8
MolecularFormula:
C13H8F2O2
MolecularWeight:
234.1982
MdlNumber:
MFCD14699218
Smiles:
OC(=O)c1ccc(c(c1)c1ccccc1F)F
Complexity:
283
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
CatalogNumber: AE62254
ChemicalName: 2-Fluoro-4-(3-nitrophenyl)benzonitrile
CasNumber: 1393441-74-1
MolecularFormula: C13H7FN2O2
MolecularWeight: 242.2053
MdlNumber: MFCD22383720
Smiles: N#Cc1ccc(cc1F)c1cccc(c1)[N+](=O)[O-]
Complexity: 360
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
CatalogNumber:
AE62254
ChemicalName:
2-Fluoro-4-(3-nitrophenyl)benzonitrile
CasNumber:
1393441-74-1
MolecularFormula:
C13H7FN2O2
MolecularWeight:
242.2053
MdlNumber:
MFCD22383720
Smiles:
N#Cc1ccc(cc1F)c1cccc(c1)[N+](=O)[O-]
Complexity:
360
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1