AE62314
1393441-89-8 | 2-(Benzyloxy)-1-bromo-5-fluoro-3-nitrobenzene
Manufacturer: A2B Chem
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CatalogNumber
AE62314
ChemicalName
2-(Benzyloxy)-1-bromo-5-fluoro-3-nitrobenzene
CasNumber
1393441-89-8
MolecularFormula
C13H9BrFNO3
MolecularWeight
326.1179
MdlNumber
MFCD22383657
Smiles
Fc1cc(Br)c(c(c1)[N+](=O)[O-])OCc1ccccc1
Complexity
307
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
4
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CatalogNumber: AE62314
ChemicalName: 2-(Benzyloxy)-1-bromo-5-fluoro-3-nitrobenzene
CasNumber: 1393441-89-8
MolecularFormula: C13H9BrFNO3
MolecularWeight: 326.1179
MdlNumber: MFCD22383657
Smiles: Fc1cc(Br)c(c(c1)[N+](=O)[O-])OCc1ccccc1
Complexity: 307
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 4
CatalogNumber:
AE62314
ChemicalName:
2-(Benzyloxy)-1-bromo-5-fluoro-3-nitrobenzene
CasNumber:
1393441-89-8
MolecularFormula:
C13H9BrFNO3
MolecularWeight:
326.1179
MdlNumber:
MFCD22383657
Smiles:
Fc1cc(Br)c(c(c1)[N+](=O)[O-])OCc1ccccc1
Complexity:
307
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
4
CatalogNumber: AE62315
ChemicalName: 1-(Benzyloxy)-3-bromo-2-nitrobenzene
CasNumber: 1314091-92-3
MolecularFormula: C13H10BrNO3
MolecularWeight: 308.1274
MdlNumber: MFCD22420303
Smiles: [O-][N+](=O)c1c(cccc1Br)OCc1ccccc1
Complexity: 276
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 3.9
CatalogNumber:
AE62315
ChemicalName:
1-(Benzyloxy)-3-bromo-2-nitrobenzene
CasNumber:
1314091-92-3
MolecularFormula:
C13H10BrNO3
MolecularWeight:
308.1274
MdlNumber:
MFCD22420303
Smiles:
[O-][N+](=O)c1c(cccc1Br)OCc1ccccc1
Complexity:
276
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
3.9
CatalogNumber: AE62316
ChemicalName: 1,3-Bis[5-bromo-2-(trifluoromethyl)phenyl]triaz-1-ene
CasNumber: 1423040-58-7
MolecularFormula: C14H7Br2F6N3
MolecularWeight: 491.0239
MdlNumber: MFCD23135936
Smiles: Brc1ccc(c(c1)N/N=N/c1cc(Br)ccc1C(F)(F)F)C(F)(F)F
Complexity: 471
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 9
RotatableBondCount: 3
Xlogp3: 7.2
CatalogNumber:
AE62316
ChemicalName:
1,3-Bis[5-bromo-2-(trifluoromethyl)phenyl]triaz-1-ene
CasNumber:
1423040-58-7
MolecularFormula:
C14H7Br2F6N3
MolecularWeight:
491.0239
MdlNumber:
MFCD23135936
Smiles:
Brc1ccc(c(c1)N/N=N/c1cc(Br)ccc1C(F)(F)F)C(F)(F)F
Complexity:
471
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
9
RotatableBondCount:
3
Xlogp3:
7.2
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Smiles: OC(=O)c1cc(Br)c2c(c1)nc[nH]2
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Smiles:
OC(=O)c1cc(Br)c2c(c1)nc[nH]2
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