AE62239
1300730-68-0 | Dimethyl 2-(4-nitro-2-trifluoromethylphenyl)malonate
Manufacturer: A2B Chem
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CatalogNumber
AE62239
ChemicalName
Dimethyl 2-(4-nitro-2-trifluoromethylphenyl)malonate
CasNumber
1300730-68-0
MolecularFormula
C12H10F3NO6
MolecularWeight
321.2061
MdlNumber
MFCD22689081
Smiles
COC(=O)C(c1ccc(cc1C(F)(F)F)[N+](=O)[O-])C(=O)OC
Complexity
431
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
9
RotatableBondCount
5
Xlogp3
2.5
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CatalogNumber: AE62239
ChemicalName: Dimethyl 2-(4-nitro-2-trifluoromethylphenyl)malonate
CasNumber: 1300730-68-0
MolecularFormula: C12H10F3NO6
MolecularWeight: 321.2061
MdlNumber: MFCD22689081
Smiles: COC(=O)C(c1ccc(cc1C(F)(F)F)[N+](=O)[O-])C(=O)OC
Complexity: 431
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 9
RotatableBondCount: 5
Xlogp3: 2.5
CatalogNumber:
AE62239
ChemicalName:
Dimethyl 2-(4-nitro-2-trifluoromethylphenyl)malonate
CasNumber:
1300730-68-0
MolecularFormula:
C12H10F3NO6
MolecularWeight:
321.2061
MdlNumber:
MFCD22689081
Smiles:
COC(=O)C(c1ccc(cc1C(F)(F)F)[N+](=O)[O-])C(=O)OC
Complexity:
431
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
9
RotatableBondCount:
5
Xlogp3:
2.5
CatalogNumber: AE62240
ChemicalName: 4-(9-Carbazolylmethyl)benzeneboronic acid pinacol ester
CasNumber: 1315281-51-6
MolecularFormula: C25H26BNO2
MolecularWeight: 383.2904
MdlNumber: MFCD18827487
Smiles: CC1(C)OB(OC1(C)C)c1ccc(cc1)Cn1c2ccccc2c2c1cccc2
Complexity: 547
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AE62240
ChemicalName:
4-(9-Carbazolylmethyl)benzeneboronic acid pinacol ester
CasNumber:
1315281-51-6
MolecularFormula:
C25H26BNO2
MolecularWeight:
383.2904
MdlNumber:
MFCD18827487
Smiles:
CC1(C)OB(OC1(C)C)c1ccc(cc1)Cn1c2ccccc2c2c1cccc2
Complexity:
547
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: AE62241
ChemicalName: 6-(2,4-Dimethylphenyl)picolinic acid
CasNumber: 1225538-24-8
MolecularFormula: C14H13NO2
MolecularWeight: 227.2585
MdlNumber: MFCD16314268
Smiles: Cc1ccc(c(c1)C)c1cccc(n1)C(=O)O
Complexity: 279
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AE62241
ChemicalName:
6-(2,4-Dimethylphenyl)picolinic acid
CasNumber:
1225538-24-8
MolecularFormula:
C14H13NO2
MolecularWeight:
227.2585
MdlNumber:
MFCD16314268
Smiles:
Cc1ccc(c(c1)C)c1cccc(n1)C(=O)O
Complexity:
279
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
3.1
CatalogNumber: AE62242
ChemicalName: 4-(2,4-Dimethylphenyl)picolinic acid
CasNumber: 1261967-40-1
MolecularFormula: C14H13NO2
MolecularWeight: 227.2585
MdlNumber: MFCD18316887
Smiles: Cc1ccc(c(c1)C)c1ccnc(c1)C(=O)O
Complexity: 279
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AE62242
ChemicalName:
4-(2,4-Dimethylphenyl)picolinic acid
CasNumber:
1261967-40-1
MolecularFormula:
C14H13NO2
MolecularWeight:
227.2585
MdlNumber:
MFCD18316887
Smiles:
Cc1ccc(c(c1)C)c1ccnc(c1)C(=O)O
Complexity:
279
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
3.1