AA49004
1365271-81-3 | 1,3-Dimethyl 2-(5-bromo-3-cyanopyridin-2-yl)propanedioate
Manufacturer: A2B Chem
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CatalogNumber
AA49004
ChemicalName
1,3-Dimethyl 2-(5-bromo-3-cyanopyridin-2-yl)propanedioate
CasNumber
1365271-81-3
MolecularFormula
C11H9BrN2O4
MolecularWeight
313.1042
MdlNumber
MFCD21609704
Smiles
COC(=O)C(c1ncc(cc1C#N)Br)C(=O)OC
Complexity
363
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
6
RotatableBondCount
5
Xlogp3
1.2
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CatalogNumber: AA49004
ChemicalName: 1,3-Dimethyl 2-(5-bromo-3-cyanopyridin-2-yl)propanedioate
CasNumber: 1365271-81-3
MolecularFormula: C11H9BrN2O4
MolecularWeight: 313.1042
MdlNumber: MFCD21609704
Smiles: COC(=O)C(c1ncc(cc1C#N)Br)C(=O)OC
Complexity: 363
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
RotatableBondCount: 5
Xlogp3: 1.2
CatalogNumber:
AA49004
ChemicalName:
1,3-Dimethyl 2-(5-bromo-3-cyanopyridin-2-yl)propanedioate
CasNumber:
1365271-81-3
MolecularFormula:
C11H9BrN2O4
MolecularWeight:
313.1042
MdlNumber:
MFCD21609704
Smiles:
COC(=O)C(c1ncc(cc1C#N)Br)C(=O)OC
Complexity:
363
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
RotatableBondCount:
5
Xlogp3:
1.2
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Smiles: BrC1=CCC(=C(C)C)CC1
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BrC1=CCC(=C(C)C)CC1
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Smiles: N#Cc1cccc(c1)c1ccc(cc1)C(=O)N(C)C
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N#Cc1cccc(c1)c1ccc(cc1)C(=O)N(C)C
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Smiles: N#Cc1ccccc1c1ccc(cc1)OC(F)(F)F
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Smiles:
N#Cc1ccccc1c1ccc(cc1)OC(F)(F)F
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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