AB52071
170098-98-3 | 1-Bromo-4-fluoro-2-methyl-5-nitrobenzene
Manufacturer: A2B Chem
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CatalogNumber
AB52071
ChemicalName
1-Bromo-4-fluoro-2-methyl-5-nitrobenzene
CasNumber
170098-98-3
MolecularFormula
C7H5BrFNO2
MolecularWeight
234.0225
MdlNumber
MFCD11110550
Smiles
[O-][N+](=O)c1cc(Br)c(cc1F)C
Complexity
185
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
Xlogp3
2.9
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CatalogNumber: AB52071
ChemicalName: 1-Bromo-4-fluoro-2-methyl-5-nitrobenzene
CasNumber: 170098-98-3
MolecularFormula: C7H5BrFNO2
MolecularWeight: 234.0225
MdlNumber: MFCD11110550
Smiles: [O-][N+](=O)c1cc(Br)c(cc1F)C
Complexity: 185
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
Xlogp3: 2.9
CatalogNumber:
AB52071
ChemicalName:
1-Bromo-4-fluoro-2-methyl-5-nitrobenzene
CasNumber:
170098-98-3
MolecularFormula:
C7H5BrFNO2
MolecularWeight:
234.0225
MdlNumber:
MFCD11110550
Smiles:
[O-][N+](=O)c1cc(Br)c(cc1F)C
Complexity:
185
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C.C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C.[O-]C(=O)C(=O)[O-].OC(=O)C(=O)O.OC(=O)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C.C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C.[O-]C(=O)C(=O)[O-].OC(=O)C(=O)O.OC(=O)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@@H]([C@H]1OC(=O)C(=C1[O-])O)O.[Na+]
Complexity: 237
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@@H]([C@H]1OC(=O)C(=C1[O-])O)O.[Na+]
Complexity:
237
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc2c(c1c1c(ccc3c1cccc3)C(=O)O)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc2c(c1c1c(ccc3c1cccc3)C(=O)O)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__