AD79007
107558-26-9 | Methyl 3-(4-nitrophenyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AD79007
ChemicalName
Methyl 3-(4-nitrophenyl)benzoate
CasNumber
107558-26-9
MolecularFormula
C14H11NO4
MolecularWeight
257.2414
MdlNumber
MFCD20529487
Smiles
COC(=O)c1cccc(c1)c1ccc(cc1)[N+](=O)[O-]
Complexity
331
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
3.9
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CatalogNumber: AD79007
ChemicalName: Methyl 3-(4-nitrophenyl)benzoate
CasNumber: 107558-26-9
MolecularFormula: C14H11NO4
MolecularWeight: 257.2414
MdlNumber: MFCD20529487
Smiles: COC(=O)c1cccc(c1)c1ccc(cc1)[N+](=O)[O-]
Complexity: 331
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 3.9
CatalogNumber:
AD79007
ChemicalName:
Methyl 3-(4-nitrophenyl)benzoate
CasNumber:
107558-26-9
MolecularFormula:
C14H11NO4
MolecularWeight:
257.2414
MdlNumber:
MFCD20529487
Smiles:
COC(=O)c1cccc(c1)c1ccc(cc1)[N+](=O)[O-]
Complexity:
331
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
3.9
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Smiles: Brc1cc2c(cc1Br)oc1c2c(Br)c(c(c1)Br)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
Brc1cc2c(cc1Br)oc1c2c(Br)c(c(c1)Br)Br
Complexity:
__
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__
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HydrogenBondAcceptorCount:
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Smiles: CC(=O)C(C(=O)C)SN1C(=O)c2c(C1=O)cccc2
Complexity: __
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Smiles:
CC(=O)C(C(=O)C)SN1C(=O)c2c(C1=O)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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Smiles: OC[C@@H]1CC[C@@H](O1)n1cnc2c1nc(N)nc2N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OC[C@@H]1CC[C@@H](O1)n1cnc2c1nc(N)nc2N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__