AF00749
16588-25-3 | 4-Bromo-2-nitro-N-phenylaniline
Manufacturer: A2B Chem
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CatalogNumber
AF00749
ChemicalName
4-Bromo-2-nitro-N-phenylaniline
CasNumber
16588-25-3
MolecularFormula
C12H9BrN2O2
MolecularWeight
293.1161
MdlNumber
MFCD18579563
Smiles
Brc1ccc(c(c1)[N+](=O)[O-])Nc1ccccc1
Complexity
264
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
4.4
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CatalogNumber: AF00749
ChemicalName: 4-Bromo-2-nitro-N-phenylaniline
CasNumber: 16588-25-3
MolecularFormula: C12H9BrN2O2
MolecularWeight: 293.1161
MdlNumber: MFCD18579563
Smiles: Brc1ccc(c(c1)[N+](=O)[O-])Nc1ccccc1
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.4
CatalogNumber:
AF00749
ChemicalName:
4-Bromo-2-nitro-N-phenylaniline
CasNumber:
16588-25-3
MolecularFormula:
C12H9BrN2O2
MolecularWeight:
293.1161
MdlNumber:
MFCD18579563
Smiles:
Brc1ccc(c(c1)[N+](=O)[O-])Nc1ccccc1
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(Cn1ccc(n1)C(F)(F)F)C
Complexity: 167
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(Cn1ccc(n1)C(F)(F)F)C
Complexity:
167
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4
CatalogNumber: AF00752
ChemicalName: 1-(3-Nitrophenyl)-3-(trifluoromethyl)benzene
CasNumber: 194874-02-7
MolecularFormula: C13H8F3NO2
MolecularWeight: 267.2033
MdlNumber: MFCD21609587
Smiles: [O-][N+](=O)c1cccc(c1)c1cccc(c1)C(F)(F)F
Complexity: 327
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 4.8
CatalogNumber:
AF00752
ChemicalName:
1-(3-Nitrophenyl)-3-(trifluoromethyl)benzene
CasNumber:
194874-02-7
MolecularFormula:
C13H8F3NO2
MolecularWeight:
267.2033
MdlNumber:
MFCD21609587
Smiles:
[O-][N+](=O)c1cccc(c1)c1cccc(c1)C(F)(F)F
Complexity:
327
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
4.8
CatalogNumber: AF00753
ChemicalName: 1-Nitro-3-(trifluoromethane)sulfonylbenzene
CasNumber: 1548-72-7
MolecularFormula: C7H4F3NO4S
MolecularWeight: 255.1712
MdlNumber: MFCD00519676
Smiles: [O-][N+](=O)c1cccc(c1)S(=O)(=O)C(F)(F)F
Complexity: 367
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AF00753
ChemicalName:
1-Nitro-3-(trifluoromethane)sulfonylbenzene
CasNumber:
1548-72-7
MolecularFormula:
C7H4F3NO4S
MolecularWeight:
255.1712
MdlNumber:
MFCD00519676
Smiles:
[O-][N+](=O)c1cccc(c1)S(=O)(=O)C(F)(F)F
Complexity:
367
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
1.7