AE82957
175277-90-4 | 4-(Isopropylamino)-3-nitrobenzotrifluoride
Manufacturer: A2B Chem
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CatalogNumber
AE82957
ChemicalName
4-(Isopropylamino)-3-nitrobenzotrifluoride
CasNumber
175277-90-4
MolecularFormula
C10H11F3N2O2
MolecularWeight
248.2017
MdlNumber
MFCD00085098
Smiles
CC(Nc1ccc(cc1[N+](=O)[O-])C(F)(F)F)C
Complexity
276
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.5
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CatalogNumber: AE82957
ChemicalName: 4-(Isopropylamino)-3-nitrobenzotrifluoride
CasNumber: 175277-90-4
MolecularFormula: C10H11F3N2O2
MolecularWeight: 248.2017
MdlNumber: MFCD00085098
Smiles: CC(Nc1ccc(cc1[N+](=O)[O-])C(F)(F)F)C
Complexity: 276
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.5
CatalogNumber:
AE82957
ChemicalName:
4-(Isopropylamino)-3-nitrobenzotrifluoride
CasNumber:
175277-90-4
MolecularFormula:
C10H11F3N2O2
MolecularWeight:
248.2017
MdlNumber:
MFCD00085098
Smiles:
CC(Nc1ccc(cc1[N+](=O)[O-])C(F)(F)F)C
Complexity:
276
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1sccc1Br)O
Complexity: 103
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1sccc1Br)O
Complexity:
103
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1cc(NC(=O)c2ccccc2)c(=O)n2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
N#Cc1cc(NC(=O)c2ccccc2)c(=O)n2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1cccc(c1)C(F)(F)F)Nc1ccc(cc1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1cccc(c1)C(F)(F)F)Nc1ccc(cc1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__