AI52113
54045-76-0 | 2-Bromothiazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI52113
ChemicalName
2-Bromothiazole-5-carboxylic acid
CasNumber
54045-76-0
MolecularFormula
C4H2BrNO2S
MolecularWeight
208.03318
MdlNumber
MFCD04115730
Smiles
OC(=O)c1cnc(s1)Br
Complexity
132
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.8
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CatalogNumber: AI52113
ChemicalName: 2-Bromothiazole-5-carboxylic acid
CasNumber: 54045-76-0
MolecularFormula: C4H2BrNO2S
MolecularWeight: 208.03318
MdlNumber: MFCD04115730
Smiles: OC(=O)c1cnc(s1)Br
Complexity: 132
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AI52113
ChemicalName:
2-Bromothiazole-5-carboxylic acid
CasNumber:
54045-76-0
MolecularFormula:
C4H2BrNO2S
MolecularWeight:
208.03318
MdlNumber:
MFCD04115730
Smiles:
OC(=O)c1cnc(s1)Br
Complexity:
132
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CCOC(=O)CC(C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
CCOC(=O)CC(C)O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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ChemicalName: __
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MolecularFormula: __
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Smiles: Ic1cc2c(cc1Cl)nc([nH]c2=O)Cl
Complexity: __
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Smiles:
Ic1cc2c(cc1Cl)nc([nH]c2=O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: COC(=O)C[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COC(=O)C[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__