AC69394
99696-01-2 | 1-(2-Nitrovinyl)-4-(trifluoromethyl)benzene
Manufacturer: A2B Chem
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CatalogNumber
AC69394
ChemicalName
1-(2-Nitrovinyl)-4-(trifluoromethyl)benzene
CasNumber
99696-01-2
MolecularFormula
C9H6F3NO2
MolecularWeight
217.1446
MdlNumber
MFCD00192359
Smiles
FC(c1ccc(cc1)/C=C/[N+](=O)[O-])(F)F
Complexity
249
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
RotatableBondCount
1
Xlogp3
3.2
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CatalogNumber: AC69394
ChemicalName: 1-(2-Nitrovinyl)-4-(trifluoromethyl)benzene
CasNumber: 99696-01-2
MolecularFormula: C9H6F3NO2
MolecularWeight: 217.1446
MdlNumber: MFCD00192359
Smiles: FC(c1ccc(cc1)/C=C/[N+](=O)[O-])(F)F
Complexity: 249
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 3.2
CatalogNumber:
AC69394
ChemicalName:
1-(2-Nitrovinyl)-4-(trifluoromethyl)benzene
CasNumber:
99696-01-2
MolecularFormula:
C9H6F3NO2
MolecularWeight:
217.1446
MdlNumber:
MFCD00192359
Smiles:
FC(c1ccc(cc1)/C=C/[N+](=O)[O-])(F)F
Complexity:
249
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
3.2
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Smiles: OC(=O)CCN([N+](=O)[O-])CCC(=O)O
Complexity: __
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DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
OC(=O)CCN([N+](=O)[O-])CCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
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DefinedBondStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: OCC1O[C@@H](O)[C@H]([C@H]([C@@H]1O)O[C@@H](C(=O)OC)C)NC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
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Smiles:
OCC1O[C@@H](O)[C@H]([C@H]([C@@H]1O)O[C@@H](C(=O)OC)C)NC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
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DefinedBondStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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MolecularFormula: __
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Smiles: CCOC(=O)CCCC(=O)C(=O)OCC
Complexity: __
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DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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CatalogNumber:
__
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:
CCOC(=O)CCCC(=O)C(=O)OCC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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