AB30404
26330-51-8 | Methyl 2-bromoisovalerate
Manufacturer: A2B Chem
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CatalogNumber
AB30404
ChemicalName
Methyl 2-bromoisovalerate
CasNumber
26330-51-8
MolecularFormula
C6H11BrO2
MolecularWeight
195.0543
MdlNumber
MFCD00798412
Smiles
COC(=O)C(C(C)C)Br
NscNumber
21975
Complexity
101
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
2.3
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CatalogNumber: AB30404
ChemicalName: Methyl 2-bromoisovalerate
CasNumber: 26330-51-8
MolecularFormula: C6H11BrO2
MolecularWeight: 195.0543
MdlNumber: MFCD00798412
Smiles: COC(=O)C(C(C)C)Br
NscNumber: 21975
Complexity: 101
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.3
CatalogNumber:
AB30404
ChemicalName:
Methyl 2-bromoisovalerate
CasNumber:
26330-51-8
MolecularFormula:
C6H11BrO2
MolecularWeight:
195.0543
MdlNumber:
MFCD00798412
Smiles:
COC(=O)C(C(C)C)Br
NscNumber:
21975
Complexity:
101
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.3
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Smiles: CCCCCN=[N+]=[N-]
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HydrogenBondAcceptorCount: __
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UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
CCCCCN=[N+]=[N-]
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Smiles: S=C=Nc1ccc(cc1)C(=O)c1ccccc1
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Smiles:
S=C=Nc1ccc(cc1)C(=O)c1ccccc1
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Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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Smiles: O=C=Nc1cc(Cl)c(cc1Cl)Cl
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C=Nc1cc(Cl)c(cc1Cl)Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__