AA45196
129254-75-7 | 1-(3-Bromopropyl)-2-fluorobenzene
Manufacturer: A2B Chem
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CatalogNumber
AA45196
ChemicalName
1-(3-Bromopropyl)-2-fluorobenzene
CasNumber
129254-75-7
MolecularFormula
C9H10BrF
MolecularWeight
217.0781
MdlNumber
MFCD19707639
Smiles
BrCCCc1ccccc1F
Complexity
106
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
1
RotatableBondCount
3
Xlogp3
3.4
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CatalogNumber: AA45196
ChemicalName: 1-(3-Bromopropyl)-2-fluorobenzene
CasNumber: 129254-75-7
MolecularFormula: C9H10BrF
MolecularWeight: 217.0781
MdlNumber: MFCD19707639
Smiles: BrCCCc1ccccc1F
Complexity: 106
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
RotatableBondCount: 3
Xlogp3: 3.4
CatalogNumber:
AA45196
ChemicalName:
1-(3-Bromopropyl)-2-fluorobenzene
CasNumber:
129254-75-7
MolecularFormula:
C9H10BrF
MolecularWeight:
217.0781
MdlNumber:
MFCD19707639
Smiles:
BrCCCc1ccccc1F
Complexity:
106
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
RotatableBondCount:
3
Xlogp3:
3.4
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Smiles: Oc1c(ccc2c1C1(CC2)CCc2c1c(O)c(cc2)c1cccc2c1cccc2)c1cccc2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Oc1c(ccc2c1C1(CC2)CCc2c1c(O)c(cc2)c1cccc2c1cccc2)c1cccc2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: O[C@H](c1cc([N+](=O)[O-])c(cc1F)Cl)CC[C@@H](c1cc([N+](=O)[O-])c(cc1F)Cl)O
Complexity: __
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HeavyAtomCount: __
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Smiles:
O[C@H](c1cc([N+](=O)[O-])c(cc1F)Cl)CC[C@@H](c1cc([N+](=O)[O-])c(cc1F)Cl)O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: O=C(c1cc([N+](=O)[O-])c(cc1F)Cl)CCC(=O)c1cc([N+](=O)[O-])c(cc1F)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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:
O=C(c1cc([N+](=O)[O-])c(cc1F)Cl)CCC(=O)c1cc([N+](=O)[O-])c(cc1F)Cl
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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