AI53855
62224-20-8 | tert-Butyl 5-bromothiophene-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI53855
ChemicalName
tert-Butyl 5-bromothiophene-2-carboxylate
CasNumber
62224-20-8
MolecularFormula
C9H11BrO2S
MolecularWeight
263.1514
MdlNumber
MFCD19600057
Smiles
O=C(c1ccc(s1)Br)OC(C)(C)C
Complexity
200
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
3.8
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CatalogNumber: AI53855
ChemicalName: tert-Butyl 5-bromothiophene-2-carboxylate
CasNumber: 62224-20-8
MolecularFormula: C9H11BrO2S
MolecularWeight: 263.1514
MdlNumber: MFCD19600057
Smiles: O=C(c1ccc(s1)Br)OC(C)(C)C
Complexity: 200
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 3.8
CatalogNumber:
AI53855
ChemicalName:
tert-Butyl 5-bromothiophene-2-carboxylate
CasNumber:
62224-20-8
MolecularFormula:
C9H11BrO2S
MolecularWeight:
263.1514
MdlNumber:
MFCD19600057
Smiles:
O=C(c1ccc(s1)Br)OC(C)(C)C
Complexity:
200
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
3.8
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Smiles: O=C(c1ccc(s1)[N+](=O)[O-])OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=C(c1ccc(s1)[N+](=O)[O-])OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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Smiles: CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)[O-])C)C.[Na+]
Complexity: 415
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)[O-])C)C.[Na+]
Complexity:
415
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: COc1cc2c(cc1F)[nH]cc(c2=O)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COc1cc2c(cc1F)[nH]cc(c2=O)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__