AE12745
10442-83-8 | N-(2-Hydroxyethyl)-2-nitro-5-(trifluoromethyl)aniline
Manufacturer: A2B Chem
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CatalogNumber
AE12745
ChemicalName
N-(2-Hydroxyethyl)-2-nitro-5-(trifluoromethyl)aniline
CasNumber
10442-83-8
MolecularFormula
C9H9F3N2O3
MolecularWeight
250.1746
MdlNumber
MFCD00117089
Smiles
OCCNc1ccc(cc1[N+](=O)[O-])C(F)(F)F
Complexity
267
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
2
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CatalogNumber: AE12745
ChemicalName: N-(2-Hydroxyethyl)-2-nitro-5-(trifluoromethyl)aniline
CasNumber: 10442-83-8
MolecularFormula: C9H9F3N2O3
MolecularWeight: 250.1746
MdlNumber: MFCD00117089
Smiles: OCCNc1ccc(cc1[N+](=O)[O-])C(F)(F)F
Complexity: 267
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AE12745
ChemicalName:
N-(2-Hydroxyethyl)-2-nitro-5-(trifluoromethyl)aniline
CasNumber:
10442-83-8
MolecularFormula:
C9H9F3N2O3
MolecularWeight:
250.1746
MdlNumber:
MFCD00117089
Smiles:
OCCNc1ccc(cc1[N+](=O)[O-])C(F)(F)F
Complexity:
267
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
2
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Smiles: CCC(=O)c1ccc(c(c1)[N+](=O)[O-])OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
CCC(=O)c1ccc(c(c1)[N+](=O)[O-])OC
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Smiles: O=C(c1ccccc1)CCc1ccc(cc1)c1ccccc1
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Smiles:
O=C(c1ccccc1)CCc1ccc(cc1)c1ccccc1
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__
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RotatableBondCount:
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Smiles: CNCC(C(C(C(CO)O)O)O)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)I)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNCC(C(C(C(CO)O)O)O)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)I)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__