AE62142
1420800-23-2 | N-Pivaloyl 4,6-Dibromo-3-fluoro-2-nitroaniline
Manufacturer: A2B Chem
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CatalogNumber
AE62142
ChemicalName
N-Pivaloyl 4,6-Dibromo-3-fluoro-2-nitroaniline
CasNumber
1420800-23-2
MolecularFormula
C11H11Br2FN2O3
MolecularWeight
398.023
MdlNumber
MFCD22689086
Smiles
O=C(C(C)(C)C)Nc1c(Br)cc(c(c1[N+](=O)[O-])F)Br
Complexity
370
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
4.4
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CatalogNumber: AE62142
ChemicalName: N-Pivaloyl 4,6-Dibromo-3-fluoro-2-nitroaniline
CasNumber: 1420800-23-2
MolecularFormula: C11H11Br2FN2O3
MolecularWeight: 398.023
MdlNumber: MFCD22689086
Smiles: O=C(C(C)(C)C)Nc1c(Br)cc(c(c1[N+](=O)[O-])F)Br
Complexity: 370
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.4
CatalogNumber:
AE62142
ChemicalName:
N-Pivaloyl 4,6-Dibromo-3-fluoro-2-nitroaniline
CasNumber:
1420800-23-2
MolecularFormula:
C11H11Br2FN2O3
MolecularWeight:
398.023
MdlNumber:
MFCD22689086
Smiles:
O=C(C(C)(C)C)Nc1c(Br)cc(c(c1[N+](=O)[O-])F)Br
Complexity:
370
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C(C)(C)C)N1CCOc2c1ccc(n2)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C(C)(C)C)N1CCOc2c1ccc(n2)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE62144
ChemicalName: 3-(2-Methylphenyl)pyridine-2-carbonitrile
CasNumber: 1415819-89-4
MolecularFormula: C13H10N2
MolecularWeight: 194.2319
MdlNumber: MFCD22586705
Smiles: N#Cc1ncccc1c1ccccc1C
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.9
CatalogNumber:
AE62144
ChemicalName:
3-(2-Methylphenyl)pyridine-2-carbonitrile
CasNumber:
1415819-89-4
MolecularFormula:
C13H10N2
MolecularWeight:
194.2319
MdlNumber:
MFCD22586705
Smiles:
N#Cc1ncccc1c1ccccc1C
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Complexity: 402
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Complexity:
402
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.7