AB68131
959-22-8 | 4-Nitrophenyl benzoate
Manufacturer: A2B Chem
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CatalogNumber
AB68131
ChemicalName
4-Nitrophenyl benzoate
CasNumber
959-22-8
MolecularFormula
C13H9NO4
MolecularWeight
243.2149
MdlNumber
MFCD00135494
Smiles
O=C(c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-]
NscNumber
408882
Complexity
299
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
3.4
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CatalogNumber: AB68131
ChemicalName: 4-Nitrophenyl benzoate
CasNumber: 959-22-8
MolecularFormula: C13H9NO4
MolecularWeight: 243.2149
MdlNumber: MFCD00135494
Smiles: O=C(c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-]
NscNumber: 408882
Complexity: 299
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 3.4
CatalogNumber:
AB68131
ChemicalName:
4-Nitrophenyl benzoate
CasNumber:
959-22-8
MolecularFormula:
C13H9NO4
MolecularWeight:
243.2149
MdlNumber:
MFCD00135494
Smiles:
O=C(c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-]
NscNumber:
408882
Complexity:
299
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCC(=O)Oc1ccc(cc1)[N+](=O)[O-]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCC(=O)Oc1ccc(cc1)[N+](=O)[O-]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB68133
ChemicalName: 4-Nitrophenyl caprylate
CasNumber: 1956-10-1
MolecularFormula: C14H19NO4
MolecularWeight: 265.30496
MdlNumber: MFCD00024665
Smiles: CCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]
NscNumber: 122034
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 8
Xlogp3: 4.5
CatalogNumber:
AB68133
ChemicalName:
4-Nitrophenyl caprylate
CasNumber:
1956-10-1
MolecularFormula:
C14H19NO4
MolecularWeight:
265.30496
MdlNumber:
MFCD00024665
Smiles:
CCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]
NscNumber:
122034
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
8
Xlogp3:
4.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1=CC(=CC=C1[N+](=O)[O-])OC(=O)CCl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1=CC(=CC=C1[N+](=O)[O-])OC(=O)CCl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__