AA57076
1381944-44-0 | 4-Bromo-2,3-difluoro-N-methyl-6-nitroaniline
Manufacturer: A2B Chem
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CatalogNumber
AA57076
ChemicalName
4-Bromo-2,3-difluoro-N-methyl-6-nitroaniline
CasNumber
1381944-44-0
MolecularFormula
C7H5BrF2N2O2
MolecularWeight
267.0276
MdlNumber
MFCD22375000
Smiles
CNc1c(cc(c(c1F)F)Br)[N+](=O)[O-]
Complexity
226
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.2
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CatalogNumber: AA57076
ChemicalName: 4-Bromo-2,3-difluoro-N-methyl-6-nitroaniline
CasNumber: 1381944-44-0
MolecularFormula: C7H5BrF2N2O2
MolecularWeight: 267.0276
MdlNumber: MFCD22375000
Smiles: CNc1c(cc(c(c1F)F)Br)[N+](=O)[O-]
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.2
CatalogNumber:
AA57076
ChemicalName:
4-Bromo-2,3-difluoro-N-methyl-6-nitroaniline
CasNumber:
1381944-44-0
MolecularFormula:
C7H5BrF2N2O2
MolecularWeight:
267.0276
MdlNumber:
MFCD22375000
Smiles:
CNc1c(cc(c(c1F)F)Br)[N+](=O)[O-]
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.2
CatalogNumber: AA57077
ChemicalName: Methyl 4-[(ethoxycarbonylmethyl)amino]-3-nitrobenzoate
CasNumber: 1381944-43-9
MolecularFormula: C12H14N2O6
MolecularWeight: 282.2494
MdlNumber: MFCD22375026
Smiles: CCOC(=O)CNc1ccc(cc1[N+](=O)[O-])C(=O)OC
Complexity: 367
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 7
Xlogp3: 2.4
CatalogNumber:
AA57077
ChemicalName:
Methyl 4-[(ethoxycarbonylmethyl)amino]-3-nitrobenzoate
CasNumber:
1381944-43-9
MolecularFormula:
C12H14N2O6
MolecularWeight:
282.2494
MdlNumber:
MFCD22375026
Smiles:
CCOC(=O)CNc1ccc(cc1[N+](=O)[O-])C(=O)OC
Complexity:
367
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
7
Xlogp3:
2.4
CatalogNumber: AA57078
ChemicalName: Methyl 2-cyano-2-(4-fluoro-2-nitrophenyl)acetate
CasNumber: 1381944-42-8
MolecularFormula: C10H7FN2O4
MolecularWeight: 238.172
MdlNumber: MFCD22375003
Smiles: N#CC(c1ccc(cc1[N+](=O)[O-])F)C(=O)OC
Complexity: 359
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 1.6
CatalogNumber:
AA57078
ChemicalName:
Methyl 2-cyano-2-(4-fluoro-2-nitrophenyl)acetate
CasNumber:
1381944-42-8
MolecularFormula:
C10H7FN2O4
MolecularWeight:
238.172
MdlNumber:
MFCD22375003
Smiles:
N#CC(c1ccc(cc1[N+](=O)[O-])F)C(=O)OC
Complexity:
359
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
1.6
CatalogNumber: AA57079
ChemicalName: 3-[3-(Benzyloxy)phenyl]-2-fluorobenzoic acid
CasNumber: 1381944-41-7
MolecularFormula: C20H15FO3
MolecularWeight: 322.3297
MdlNumber: MFCD22375079
Smiles: OC(=O)c1cccc(c1F)c1cccc(c1)OCc1ccccc1
Complexity: 408
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 4.6
CatalogNumber:
AA57079
ChemicalName:
3-[3-(Benzyloxy)phenyl]-2-fluorobenzoic acid
CasNumber:
1381944-41-7
MolecularFormula:
C20H15FO3
MolecularWeight:
322.3297
MdlNumber:
MFCD22375079
Smiles:
OC(=O)c1cccc(c1F)c1cccc(c1)OCc1ccccc1
Complexity:
408
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
4.6