AB75716
2702-58-1 | Methyl 3,5-dinitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB75716
ChemicalName
Methyl 3,5-dinitrobenzoate
CasNumber
2702-58-1
MolecularFormula
C8H6N2O6
MolecularWeight
226.143
MdlNumber
MFCD00017016
Smiles
COC(=O)c1cc(cc(c1)N(=O)=O)N(=O)=O
NscNumber
7317
Complexity
285
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AB75716
ChemicalName: Methyl 3,5-dinitrobenzoate
CasNumber: 2702-58-1
MolecularFormula: C8H6N2O6
MolecularWeight: 226.143
MdlNumber: MFCD00017016
Smiles: COC(=O)c1cc(cc(c1)N(=O)=O)N(=O)=O
NscNumber: 7317
Complexity: 285
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AB75716
ChemicalName:
Methyl 3,5-dinitrobenzoate
CasNumber:
2702-58-1
MolecularFormula:
C8H6N2O6
MolecularWeight:
226.143
MdlNumber:
MFCD00017016
Smiles:
COC(=O)c1cc(cc(c1)N(=O)=O)N(=O)=O
NscNumber:
7317
Complexity:
285
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1sc2c(c1Cl)ccc(c2)Cl
NscNumber: __
Complexity: 262
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 4.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1sc2c(c1Cl)ccc(c2)Cl
NscNumber:
__
Complexity:
262
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
4.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)CSCCC(=O)OC
NscNumber: __
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CSCCC(=O)OC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)CCNc1ccc(cc1)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CCNc1ccc(cc1)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__