AE14865
1036389-83-9 | 2-Bromo-4-fluoro-5-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE14865
ChemicalName
2-Bromo-4-fluoro-5-nitrobenzoic acid
CasNumber
1036389-83-9
MolecularFormula
C7H3BrFNO4
MolecularWeight
264.00542319999994
MdlNumber
MFCD11847619
Smiles
OC(=O)c1cc(N(=O)=O)c(cc1Br)F
Complexity
257
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.1
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CatalogNumber: AE14865
ChemicalName: 2-Bromo-4-fluoro-5-nitrobenzoic acid
CasNumber: 1036389-83-9
MolecularFormula: C7H3BrFNO4
MolecularWeight: 264.00542319999994
MdlNumber: MFCD11847619
Smiles: OC(=O)c1cc(N(=O)=O)c(cc1Br)F
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AE14865
ChemicalName:
2-Bromo-4-fluoro-5-nitrobenzoic acid
CasNumber:
1036389-83-9
MolecularFormula:
C7H3BrFNO4
MolecularWeight:
264.00542319999994
MdlNumber:
MFCD11847619
Smiles:
OC(=O)c1cc(N(=O)=O)c(cc1Br)F
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.1
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Smiles: CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(CN(C(C(C1(C)O)O)C)C)C)(C)O
Complexity: __
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Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(CN(C(C(C1(C)O)O)C)C)C)(C)O
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RotatableBondCount:
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Xlogp3:
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Smiles: O=C(OC(C)(C)C)N[C@H]([C@@H](CN(C(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])[2H])([2H])[2H])S(=O)(=O)c1ccc(cc1)N)O)Cc1ccccc1
Complexity: __
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Smiles:
O=C(OC(C)(C)C)N[C@H]([C@@H](CN(C(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])[2H])([2H])[2H])S(=O)(=O)c1ccc(cc1)N)O)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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__
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Smiles: C#CCCSS(=O)(=O)C
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
C#CCCSS(=O)(=O)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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