AI45924
25574-19-0 | 1-(4-Bromophenyl)-3-chloropropan-1-ol
Manufacturer: A2B Chem
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CatalogNumber
AI45924
ChemicalName
1-(4-Bromophenyl)-3-chloropropan-1-ol
CasNumber
25574-19-0
MolecularFormula
C9H10BrClO
MolecularWeight
249.5321
MdlNumber
MFCD14531429
Smiles
ClCCC(c1ccc(cc1)Br)O
Complexity
124
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
2.7
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CatalogNumber: AI45924
ChemicalName: 1-(4-Bromophenyl)-3-chloropropan-1-ol
CasNumber: 25574-19-0
MolecularFormula: C9H10BrClO
MolecularWeight: 249.5321
MdlNumber: MFCD14531429
Smiles: ClCCC(c1ccc(cc1)Br)O
Complexity: 124
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.7
CatalogNumber:
AI45924
ChemicalName:
1-(4-Bromophenyl)-3-chloropropan-1-ol
CasNumber:
25574-19-0
MolecularFormula:
C9H10BrClO
MolecularWeight:
249.5321
MdlNumber:
MFCD14531429
Smiles:
ClCCC(c1ccc(cc1)Br)O
Complexity:
124
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.7
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Smiles: COC(=O)CCCCCNC(=O)OCc1ccccc1
Complexity: __
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HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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Smiles:
COC(=O)CCCCCNC(=O)OCc1ccccc1
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Smiles: [N]=[Ti]
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[N]=[Ti]
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O=Cc1cccc(c1)OCCc1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
O=Cc1cccc(c1)OCCc1ccccc1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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