AI50476
441-31-6 | 1,5-Difluoro-2-methoxy-3-nitrobenzene
Manufacturer: A2B Chem
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CatalogNumber
AI50476
ChemicalName
1,5-Difluoro-2-methoxy-3-nitrobenzene
CasNumber
441-31-6
MolecularFormula
C7H5F2NO3
MolecularWeight
189.1163
MdlNumber
MFCD06656242
Smiles
COc1c(F)cc(cc1[N+](=O)[O-])F
Complexity
197
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
RotatableBondCount
1
Xlogp3
1.9
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CatalogNumber: AI50476
ChemicalName: 1,5-Difluoro-2-methoxy-3-nitrobenzene
CasNumber: 441-31-6
MolecularFormula: C7H5F2NO3
MolecularWeight: 189.1163
MdlNumber: MFCD06656242
Smiles: COc1c(F)cc(cc1[N+](=O)[O-])F
Complexity: 197
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 1.9
CatalogNumber:
AI50476
ChemicalName:
1,5-Difluoro-2-methoxy-3-nitrobenzene
CasNumber:
441-31-6
MolecularFormula:
C7H5F2NO3
MolecularWeight:
189.1163
MdlNumber:
MFCD06656242
Smiles:
COc1c(F)cc(cc1[N+](=O)[O-])F
Complexity:
197
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
1.9
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MolecularFormula: __
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Smiles: O[C@@H]1CCN([C@H](C1)C(=O)[O-])C(=O)OC(C)(C)C.[NH3+]Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
O[C@@H]1CCN([C@H](C1)C(=O)[O-])C(=O)OC(C)(C)C.[NH3+]Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: C1CC(=O)N(C1=O)OC(=O)CCCC2=CC=C(C=C2)N=[N+]=[N-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
C1CC(=O)N(C1=O)OC(=O)CCCC2=CC=C(C=C2)N=[N+]=[N-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: C1CCC(CC1)c1ncc2n1CCNC2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1CCC(CC1)c1ncc2n1CCNC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__