AC62394
7425-49-2 | Ethyl 3-bromobutyrate
Manufacturer: A2B Chem
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CatalogNumber
AC62394
ChemicalName
Ethyl 3-bromobutyrate
CasNumber
7425-49-2
MolecularFormula
C6H11BrO2
MolecularWeight
195.05433999999997
MdlNumber
MFCD00039175
Smiles
CCOC(=O)CC(Br)C
NscNumber
8856
Complexity
93.1
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
1.6
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CatalogNumber: AC62394
ChemicalName: Ethyl 3-bromobutyrate
CasNumber: 7425-49-2
MolecularFormula: C6H11BrO2
MolecularWeight: 195.05433999999997
MdlNumber: MFCD00039175
Smiles: CCOC(=O)CC(Br)C
NscNumber: 8856
Complexity: 93.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AC62394
ChemicalName:
Ethyl 3-bromobutyrate
CasNumber:
7425-49-2
MolecularFormula:
C6H11BrO2
MolecularWeight:
195.05433999999997
MdlNumber:
MFCD00039175
Smiles:
CCOC(=O)CC(Br)C
NscNumber:
8856
Complexity:
93.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6
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Smiles: CCCCC(C(=O)OC(COC(=O)C(CCCC)CC)COC(=O)C(CCCC)CC)CC
NscNumber: __
Complexity: __
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Smiles:
CCCCC(C(=O)OC(COC(=O)C(CCCC)CC)COC(=O)C(CCCC)CC)CC
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Smiles: O=C1c2c(ccc(c2C(=O)c2c1cccc2)Nc1ccc(cc1)Oc1ccccc1)Nc1ccc(cc1)Oc1ccccc1
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Smiles:
O=C1c2c(ccc(c2C(=O)c2c1cccc2)Nc1ccc(cc1)Oc1ccccc1)Nc1ccc(cc1)Oc1ccccc1
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UndefinedAtomStereocenterCount:
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__
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Smiles: CC(c1cncc(c1)C(=O)O)C
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Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1cncc(c1)C(=O)O)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__