AA37122
126430-46-4 | Benzyl 4-bromobutanoate
Manufacturer: A2B Chem
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CatalogNumber
AA37122
ChemicalName
Benzyl 4-bromobutanoate
CasNumber
126430-46-4
MolecularFormula
C11H13BrO2
MolecularWeight
257.1237
MdlNumber
MFCD00143681
Smiles
BrCCCC(=O)OCc1ccccc1
Complexity
165
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
RotatableBondCount
6
Xlogp3
3
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CatalogNumber: AA37122
ChemicalName: Benzyl 4-bromobutanoate
CasNumber: 126430-46-4
MolecularFormula: C11H13BrO2
MolecularWeight: 257.1237
MdlNumber: MFCD00143681
Smiles: BrCCCC(=O)OCc1ccccc1
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
RotatableBondCount: 6
Xlogp3: 3
CatalogNumber:
AA37122
ChemicalName:
Benzyl 4-bromobutanoate
CasNumber:
126430-46-4
MolecularFormula:
C11H13BrO2
MolecularWeight:
257.1237
MdlNumber:
MFCD00143681
Smiles:
BrCCCC(=O)OCc1ccccc1
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
RotatableBondCount:
6
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: C=CCOP(N(C(C)C)C(C)C)OCC=C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
C=CCOP(N(C(C)C)C(C)C)OCC=C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: OC(=O)COc1ccc2c(c1)oc(=O)cc2
Complexity: 322
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.5
CatalogNumber:
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MolecularFormula:
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Smiles:
OC(=O)COc1ccc2c(c1)oc(=O)cc2
Complexity:
322
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.5
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MolecularWeight: __
MdlNumber: __
Smiles: OP1(=O)Oc2c(cc3c(c2-c2c(O1)c(cc1c2cccc1)c1ccc(cc1)C(F)(F)F)cccc3)c1ccc(cc1)C(F)(F)F.OP1(=O)Oc2c(cc3c(c2-c2c(O1)c(cc1c2cccc1)c1ccc(cc1)C(F)(F)F)cccc3)c1ccc(cc1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OP1(=O)Oc2c(cc3c(c2-c2c(O1)c(cc1c2cccc1)c1ccc(cc1)C(F)(F)F)cccc3)c1ccc(cc1)C(F)(F)F.OP1(=O)Oc2c(cc3c(c2-c2c(O1)c(cc1c2cccc1)c1ccc(cc1)C(F)(F)F)cccc3)c1ccc(cc1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__