AB80219
3871-20-3 | Tris(4-nitrophenyl) phosphate
Manufacturer: A2B Chem
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CatalogNumber
AB80219
ChemicalName
Tris(4-nitrophenyl) phosphate
CasNumber
3871-20-3
MolecularFormula
C18H12N3O10P
MolecularWeight
461.2757409999999
MdlNumber
MFCD00024649
Smiles
O=P(Oc1ccc(cc1)[N+](=O)[O-])(Oc1ccc(cc1)[N+](=O)[O-])Oc1ccc(cc1)[N+](=O)[O-]
NscNumber
66455
Complexity
617
Covalently-bondedUnitCount
1
HeavyAtomCount
32
HydrogenBondAcceptorCount
10
RotatableBondCount
6
Xlogp3
4.1
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CatalogNumber: AB80219
ChemicalName: Tris(4-nitrophenyl) phosphate
CasNumber: 3871-20-3
MolecularFormula: C18H12N3O10P
MolecularWeight: 461.2757409999999
MdlNumber: MFCD00024649
Smiles: O=P(Oc1ccc(cc1)[N+](=O)[O-])(Oc1ccc(cc1)[N+](=O)[O-])Oc1ccc(cc1)[N+](=O)[O-]
NscNumber: 66455
Complexity: 617
Covalently-bondedUnitCount: 1
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 10
RotatableBondCount: 6
Xlogp3: 4.1
CatalogNumber:
AB80219
ChemicalName:
Tris(4-nitrophenyl) phosphate
CasNumber:
3871-20-3
MolecularFormula:
C18H12N3O10P
MolecularWeight:
461.2757409999999
MdlNumber:
MFCD00024649
Smiles:
O=P(Oc1ccc(cc1)[N+](=O)[O-])(Oc1ccc(cc1)[N+](=O)[O-])Oc1ccc(cc1)[N+](=O)[O-]
NscNumber:
66455
Complexity:
617
Covalently-bondedUnitCount:
1
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
10
RotatableBondCount:
6
Xlogp3:
4.1
CatalogNumber: __
ChemicalName: __
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Smiles: CC(c1ccc(cc1)OP(=O)(Oc1ccc(cc1)C(C)(C)C)Oc1ccc(cc1)C(C)(C)C)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
CC(c1ccc(cc1)OP(=O)(Oc1ccc(cc1)C(C)(C)C)Oc1ccc(cc1)C(C)(C)C)(C)C
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: FC(c1ccc(cc1)P(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)(F)F
NscNumber: __
Complexity: 478
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 7.3
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MolecularFormula:
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MolecularWeight:
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Smiles:
FC(c1ccc(cc1)P(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)(F)F
NscNumber:
__
Complexity:
478
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
7.3
CatalogNumber: __
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CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C(C(C(F)(F)F)(F)F)(F)F)/C=C(/C(C)(C)C)[O-].O=C(C(C(C(F)(F)F)(F)F)(F)F)/C=C(/C(C)(C)C)[O-].O=C(C(C(C(F)(F)F)(F)F)(F)F)/C=C(/C(C)(C)C)[O-].[Yb+3].[Yb+3]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C(C(C(F)(F)F)(F)F)(F)F)/C=C(/C(C)(C)C)[O-].O=C(C(C(C(F)(F)F)(F)F)(F)F)/C=C(/C(C)(C)C)[O-].O=C(C(C(C(F)(F)F)(F)F)(F)F)/C=C(/C(C)(C)C)[O-].[Yb+3].[Yb+3]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__