AC03752
87547-06-6 | 4-Bromo-2-fluoro-5-nitroaniline
Manufacturer: A2B Chem
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CatalogNumber
AC03752
ChemicalName
4-Bromo-2-fluoro-5-nitroaniline
CasNumber
87547-06-6
MolecularFormula
C6H4BrFN2O2
MolecularWeight
235.0106
MdlNumber
MFCD08741367
Smiles
[O-][N+](=O)c1cc(N)c(cc1Br)F
Complexity
187
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
Xlogp3
2.3
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CatalogNumber: AC03752
ChemicalName: 4-Bromo-2-fluoro-5-nitroaniline
CasNumber: 87547-06-6
MolecularFormula: C6H4BrFN2O2
MolecularWeight: 235.0106
MdlNumber: MFCD08741367
Smiles: [O-][N+](=O)c1cc(N)c(cc1Br)F
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
Xlogp3: 2.3
CatalogNumber:
AC03752
ChemicalName:
4-Bromo-2-fluoro-5-nitroaniline
CasNumber:
87547-06-6
MolecularFormula:
C6H4BrFN2O2
MolecularWeight:
235.0106
MdlNumber:
MFCD08741367
Smiles:
[O-][N+](=O)c1cc(N)c(cc1Br)F
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
Xlogp3:
2.3
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Smiles: COc1ccc(cc1)OC(=O)N(Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1)CC(=O)O[C@H]1OC(C(=O)O)[C@@H](C(C1O)O)O
Complexity: __
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Smiles:
COc1ccc(cc1)OC(=O)N(Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1)CC(=O)O[C@H]1OC(C(=O)O)[C@@H](C(C1O)O)O
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Smiles: OCC(=O)C12N=C(OC1CC1[C@]2(C)C[C@H](O)C2[C@H]1C[C@@H](C1=CC(=O)C=C[C@]21C)O)C
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Smiles:
OCC(=O)C12N=C(OC1CC1[C@]2(C)C[C@H](O)C2[C@H]1C[C@@H](C1=CC(=O)C=C[C@]21C)O)C
Complexity:
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HydrogenBondDonorCount:
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Smiles: OC(=O)[C@@H]1N2C(=O)C[C@H]2SC1(C)C
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)[C@@H]1N2C(=O)C[C@H]2SC1(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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Xlogp3:
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