AD40727
16499-52-8 | 2-Nitro-5-(trifluoromethyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AD40727
ChemicalName
2-Nitro-5-(trifluoromethyl)benzonitrile
CasNumber
16499-52-8
MolecularFormula
C8H3F3N2O2
MolecularWeight
216.1168
MdlNumber
MFCD09264505
Smiles
N#Cc1cc(ccc1[N+](=O)[O-])C(F)(F)F
Complexity
301
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
Xlogp3
1.9
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CatalogNumber: AD40727
ChemicalName: 2-Nitro-5-(trifluoromethyl)benzonitrile
CasNumber: 16499-52-8
MolecularFormula: C8H3F3N2O2
MolecularWeight: 216.1168
MdlNumber: MFCD09264505
Smiles: N#Cc1cc(ccc1[N+](=O)[O-])C(F)(F)F
Complexity: 301
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
Xlogp3: 1.9
CatalogNumber:
AD40727
ChemicalName:
2-Nitro-5-(trifluoromethyl)benzonitrile
CasNumber:
16499-52-8
MolecularFormula:
C8H3F3N2O2
MolecularWeight:
216.1168
MdlNumber:
MFCD09264505
Smiles:
N#Cc1cc(ccc1[N+](=O)[O-])C(F)(F)F
Complexity:
301
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
Xlogp3:
1.9
CatalogNumber: __
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Smiles: Fc1ccc2c(c1)ncnc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
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Smiles:
Fc1ccc2c(c1)ncnc2
Complexity:
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HydrogenBondAcceptorCount:
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Xlogp3:
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Smiles: BrC[C@@H]1CNC(=O)O1
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MolecularFormula:
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MolecularWeight:
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Smiles:
BrC[C@@H]1CNC(=O)O1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC1=N[C@@H](CS1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC1=N[C@@H](CS1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__