AI53832
621-50-1 | 3-Nitrophenylacetonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI53832
ChemicalName
3-Nitrophenylacetonitrile
CasNumber
621-50-1
MolecularFormula
C8H6N2O2
MolecularWeight
162.14544000000004
MdlNumber
MFCD00041249
Smiles
N#CCc1cccc(c1)[N+](=O)[O-]
NscNumber
91037
Complexity
213
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
1.8
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CatalogNumber: AI53832
ChemicalName: 3-Nitrophenylacetonitrile
CasNumber: 621-50-1
MolecularFormula: C8H6N2O2
MolecularWeight: 162.14544000000004
MdlNumber: MFCD00041249
Smiles: N#CCc1cccc(c1)[N+](=O)[O-]
NscNumber: 91037
Complexity: 213
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AI53832
ChemicalName:
3-Nitrophenylacetonitrile
CasNumber:
621-50-1
MolecularFormula:
C8H6N2O2
MolecularWeight:
162.14544000000004
MdlNumber:
MFCD00041249
Smiles:
N#CCc1cccc(c1)[N+](=O)[O-]
NscNumber:
91037
Complexity:
213
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)OCc1ccccc1
NscNumber: __
Complexity: 130
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
NC(=O)OCc1ccccc1
NscNumber:
__
Complexity:
130
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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MdlNumber: __
Smiles: CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(O[C@H]1O[C@@H]2CP(c1ccccc1)c1ccccc1)(C)C
NscNumber: __
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Xlogp3: __
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__
ChemicalName:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(O[C@H]1O[C@@H]2CP(c1ccccc1)c1ccccc1)(C)C
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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MdlNumber: __
Smiles: Nc1ccc(c(c1)Cl)N.Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Nc1ccc(c(c1)Cl)N.Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__