AI44761
2078-10-6 | 2-Nitro-N-propyl-4-(trifluoromethyl)aniline
Manufacturer: A2B Chem
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CatalogNumber
AI44761
ChemicalName
2-Nitro-N-propyl-4-(trifluoromethyl)aniline
CasNumber
2078-10-6
MolecularFormula
C10H11F3N2O2
MolecularWeight
248.2017
MdlNumber
MFCD00707486
Smiles
CCCNc1ccc(cc1[N+](=O)[O-])C(F)(F)F
Complexity
265
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.6
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CatalogNumber: AI44761
ChemicalName: 2-Nitro-N-propyl-4-(trifluoromethyl)aniline
CasNumber: 2078-10-6
MolecularFormula: C10H11F3N2O2
MolecularWeight: 248.2017
MdlNumber: MFCD00707486
Smiles: CCCNc1ccc(cc1[N+](=O)[O-])C(F)(F)F
Complexity: 265
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.6
CatalogNumber:
AI44761
ChemicalName:
2-Nitro-N-propyl-4-(trifluoromethyl)aniline
CasNumber:
2078-10-6
MolecularFormula:
C10H11F3N2O2
MolecularWeight:
248.2017
MdlNumber:
MFCD00707486
Smiles:
CCCNc1ccc(cc1[N+](=O)[O-])C(F)(F)F
Complexity:
265
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.6
CatalogNumber: AI44762
ChemicalName: 2-Hydroxyethylurea
CasNumber: 2078-71-9
MolecularFormula: C3H8N2O2
MolecularWeight: 104.1078
MdlNumber: MFCD00059080
Smiles: C(CO)NC(=O)N
Complexity: 64
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: -1.7
CatalogNumber:
AI44762
ChemicalName:
2-Hydroxyethylurea
CasNumber:
2078-71-9
MolecularFormula:
C3H8N2O2
MolecularWeight:
104.1078
MdlNumber:
MFCD00059080
Smiles:
C(CO)NC(=O)N
Complexity:
64
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
-1.7
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Smiles: NC(C(C)(C)C)c1ccncc1
Complexity: __
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Smiles:
NC(C(C)(C)C)c1ccncc1
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RotatableBondCount:
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Smiles: OC(=O)c1cnccc1c1ccccc1C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)c1cnccc1c1ccccc1C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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