AI57890
865204-03-1 | 1-(4-Bromophenyl)cyclopentan-1-ol
Manufacturer: A2B Chem
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CatalogNumber
AI57890
ChemicalName
1-(4-Bromophenyl)cyclopentan-1-ol
CasNumber
865204-03-1
MolecularFormula
C11H13BrO
MolecularWeight
241.12431999999998
MdlNumber
MFCD18205681
Smiles
OC1(CCCC1)c1ccc(cc1)Br
Complexity
167
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.8
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CatalogNumber: AI57890
ChemicalName: 1-(4-Bromophenyl)cyclopentan-1-ol
CasNumber: 865204-03-1
MolecularFormula: C11H13BrO
MolecularWeight: 241.12431999999998
MdlNumber: MFCD18205681
Smiles: OC1(CCCC1)c1ccc(cc1)Br
Complexity: 167
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.8
CatalogNumber:
AI57890
ChemicalName:
1-(4-Bromophenyl)cyclopentan-1-ol
CasNumber:
865204-03-1
MolecularFormula:
C11H13BrO
MolecularWeight:
241.12431999999998
MdlNumber:
MFCD18205681
Smiles:
OC1(CCCC1)c1ccc(cc1)Br
Complexity:
167
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.8
CatalogNumber: AI57891
ChemicalName: (3S)-3-(4-Hydroxyphenyl)-4-hexynoic acid
CasNumber: 865233-35-8
MolecularFormula: C12H12O3
MolecularWeight: 204.2219
MdlNumber: MFCD23106483
Smiles: CC#C[C@H](c1ccc(cc1)O)CC(=O)O
Complexity: 276
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AI57891
ChemicalName:
(3S)-3-(4-Hydroxyphenyl)-4-hexynoic acid
CasNumber:
865233-35-8
MolecularFormula:
C12H12O3
MolecularWeight:
204.2219
MdlNumber:
MFCD23106483
Smiles:
CC#C[C@H](c1ccc(cc1)O)CC(=O)O
Complexity:
276
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.9
CatalogNumber: AI57892
ChemicalName: 1-(Pyrazin-2-yl)urea
CasNumber: 86525-14-6
MolecularFormula: C5H6N4O
MolecularWeight: 138.1273
MdlNumber: MFCD15146233
Smiles: NC(=O)Nc1cnccn1
Complexity: 127
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: -0.6
CatalogNumber:
AI57892
ChemicalName:
1-(Pyrazin-2-yl)urea
CasNumber:
86525-14-6
MolecularFormula:
C5H6N4O
MolecularWeight:
138.1273
MdlNumber:
MFCD15146233
Smiles:
NC(=O)Nc1cnccn1
Complexity:
127
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
-0.6
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Smiles: COc1cc(C(C)C)c(cc1I)OS(=O)(=O)c1ccc(cc1)C
Complexity: __
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Smiles:
COc1cc(C(C)C)c(cc1I)OS(=O)(=O)c1ccc(cc1)C
Complexity:
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HeavyAtomCount:
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