AB40527
305800-58-2 | 3-Bromo-5-fluorophenylacetonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB40527
ChemicalName
3-Bromo-5-fluorophenylacetonitrile
CasNumber
305800-58-2
MolecularFormula
C8H5BrFN
MolecularWeight
214.0344
MdlNumber
MFCD09258960
Smiles
N#CCc1cc(F)cc(c1)Br
Complexity
174
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
2.4
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CatalogNumber: AB40527
ChemicalName: 3-Bromo-5-fluorophenylacetonitrile
CasNumber: 305800-58-2
MolecularFormula: C8H5BrFN
MolecularWeight: 214.0344
MdlNumber: MFCD09258960
Smiles: N#CCc1cc(F)cc(c1)Br
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AB40527
ChemicalName:
3-Bromo-5-fluorophenylacetonitrile
CasNumber:
305800-58-2
MolecularFormula:
C8H5BrFN
MolecularWeight:
214.0344
MdlNumber:
MFCD09258960
Smiles:
N#CCc1cc(F)cc(c1)Br
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2.4
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Smiles: CSc1ccccc1[N+](=O)[O-]
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CSc1ccccc1[N+](=O)[O-]
Complexity:
__
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__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Clc1ccc2c(c1)c(=O)nc([nH]2)NC1CCCCC1
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Smiles:
Clc1ccc2c(c1)c(=O)nc([nH]2)NC1CCCCC1
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__
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__
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__
HydrogenBondAcceptorCount:
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Smiles: CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C.O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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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:
CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C.O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__