AA51341
13771-68-1 | Ethyl 5-bromo-1-benzothiophene-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA51341
ChemicalName
Ethyl 5-bromo-1-benzothiophene-2-carboxylate
CasNumber
13771-68-1
MolecularFormula
C11H9BrO2S
MolecularWeight
285.1569599999999
MdlNumber
MFCD12756246
Smiles
CCOC(=O)c1cc2c(s1)ccc(c2)Br
Complexity
247
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
4.2
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CatalogNumber: AA51341
ChemicalName: Ethyl 5-bromo-1-benzothiophene-2-carboxylate
CasNumber: 13771-68-1
MolecularFormula: C11H9BrO2S
MolecularWeight: 285.1569599999999
MdlNumber: MFCD12756246
Smiles: CCOC(=O)c1cc2c(s1)ccc(c2)Br
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 4.2
CatalogNumber:
AA51341
ChemicalName:
Ethyl 5-bromo-1-benzothiophene-2-carboxylate
CasNumber:
13771-68-1
MolecularFormula:
C11H9BrO2S
MolecularWeight:
285.1569599999999
MdlNumber:
MFCD12756246
Smiles:
CCOC(=O)c1cc2c(s1)ccc(c2)Br
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
4.2
CatalogNumber: AA51342
ChemicalName: 3-Methoxy-4-nitrophenylboronic acid
CasNumber: 1377248-58-2
MolecularFormula: C7H8BNO5
MolecularWeight: 196.95312
MdlNumber: MFCD21609543
Smiles: COc1cc(ccc1[N+](=O)[O-])B(O)O
Complexity: 207
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AA51342
ChemicalName:
3-Methoxy-4-nitrophenylboronic acid
CasNumber:
1377248-58-2
MolecularFormula:
C7H8BNO5
MolecularWeight:
196.95312
MdlNumber:
MFCD21609543
Smiles:
COc1cc(ccc1[N+](=O)[O-])B(O)O
Complexity:
207
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cc(cc2c1sc(nc2=O)N1CCN(CC1)CC1CCCCC1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cc(cc2c1sc(nc2=O)N1CCN(CC1)CC1CCCCC1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA51347
ChemicalName: N-Boc-trans-1,2-diaminocyclohexane
CasNumber: 137731-41-0
MolecularFormula: C11H22N2O2
MolecularWeight: 214.3046
MdlNumber: MFCD06795909
Smiles: O=C(OC(C)(C)C)N[C@@H]1CCCC[C@H]1N
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AA51347
ChemicalName:
N-Boc-trans-1,2-diaminocyclohexane
CasNumber:
137731-41-0
MolecularFormula:
C11H22N2O2
MolecularWeight:
214.3046
MdlNumber:
MFCD06795909
Smiles:
O=C(OC(C)(C)C)N[C@@H]1CCCC[C@H]1N
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.3