AG33132
52767-92-7 | 2-((5-Bromopyrimidin-2-yl)thio)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AG33132
ChemicalName
2-((5-Bromopyrimidin-2-yl)thio)acetic acid
CasNumber
52767-92-7
MolecularFormula
C6H5BrN2O2S
MolecularWeight
249.0851
MdlNumber
MFCD09754081
Smiles
OC(=O)CSc1ncc(cn1)Br
Complexity
162
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.3
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CatalogNumber: AG33132
ChemicalName: 2-((5-Bromopyrimidin-2-yl)thio)acetic acid
CasNumber: 52767-92-7
MolecularFormula: C6H5BrN2O2S
MolecularWeight: 249.0851
MdlNumber: MFCD09754081
Smiles: OC(=O)CSc1ncc(cn1)Br
Complexity: 162
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AG33132
ChemicalName:
2-((5-Bromopyrimidin-2-yl)thio)acetic acid
CasNumber:
52767-92-7
MolecularFormula:
C6H5BrN2O2S
MolecularWeight:
249.0851
MdlNumber:
MFCD09754081
Smiles:
OC(=O)CSc1ncc(cn1)Br
Complexity:
162
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: COCCNc1ncccc1C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
COCCNc1ncccc1C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: CCOC(=O)CC1(O)CCCCC1
Complexity: __
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HydrogenBondAcceptorCount: __
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MolecularFormula:
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Smiles:
CCOC(=O)CC1(O)CCCCC1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: NNc1cccc(c1)SC
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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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:
NNc1cccc(c1)SC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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