AB65418
21606-04-2 | 1-Methyl-3-nitrophthalate
Manufacturer: A2B Chem
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CatalogNumber
AB65418
ChemicalName
1-Methyl-3-nitrophthalate
CasNumber
21606-04-2
MolecularFormula
C9H7NO6
MolecularWeight
225.15498
MdlNumber
MFCD00034781
Smiles
COC(=O)c1cccc(c1C(=O)O)N(=O)=O
Complexity
310
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.1
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CatalogNumber: AB65418
ChemicalName: 1-Methyl-3-nitrophthalate
CasNumber: 21606-04-2
MolecularFormula: C9H7NO6
MolecularWeight: 225.15498
MdlNumber: MFCD00034781
Smiles: COC(=O)c1cccc(c1C(=O)O)N(=O)=O
Complexity: 310
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.1
CatalogNumber:
AB65418
ChemicalName:
1-Methyl-3-nitrophthalate
CasNumber:
21606-04-2
MolecularFormula:
C9H7NO6
MolecularWeight:
225.15498
MdlNumber:
MFCD00034781
Smiles:
COC(=O)c1cccc(c1C(=O)O)N(=O)=O
Complexity:
310
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)C(C(O)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)C(C(O)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB65420
ChemicalName: 3-Nitro-2-phenylpyridine
CasNumber: 134896-35-8
MolecularFormula: C11H8N2O2
MolecularWeight: 200.1934
MdlNumber: MFCD04114109
Smiles: [O-][N+](=O)c1cccnc1c1ccccc1
Complexity: 221
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AB65420
ChemicalName:
3-Nitro-2-phenylpyridine
CasNumber:
134896-35-8
MolecularFormula:
C11H8N2O2
MolecularWeight:
200.1934
MdlNumber:
MFCD04114109
Smiles:
[O-][N+](=O)c1cccnc1c1ccccc1
Complexity:
221
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClSc1ncccc1[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClSc1ncccc1[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__