AC77613
957230-68-1 | 3,6-Dibromopyrazine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AC77613
ChemicalName
3,6-Dibromopyrazine-2-carboxylic acid
CasNumber
957230-68-1
MolecularFormula
C5H2Br2N2O2
MolecularWeight
281.88958
MdlNumber
MFCD13193674
Smiles
Brc1cnc(c(n1)C(=O)O)Br
Complexity
167
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.7
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CatalogNumber: AC77613
ChemicalName: 3,6-Dibromopyrazine-2-carboxylic acid
CasNumber: 957230-68-1
MolecularFormula: C5H2Br2N2O2
MolecularWeight: 281.88958
MdlNumber: MFCD13193674
Smiles: Brc1cnc(c(n1)C(=O)O)Br
Complexity: 167
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AC77613
ChemicalName:
3,6-Dibromopyrazine-2-carboxylic acid
CasNumber:
957230-68-1
MolecularFormula:
C5H2Br2N2O2
MolecularWeight:
281.88958
MdlNumber:
MFCD13193674
Smiles:
Brc1cnc(c(n1)C(=O)O)Br
Complexity:
167
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.7
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MolecularFormula: __
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Smiles: O[C@@H]([C@@H](C(=O)O)O)C(=O)O.OC[C@H]1CNC[C@H]([C@@H]1O)O
Complexity: __
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RotatableBondCount: __
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Smiles:
O[C@@H]([C@@H](C(=O)O)O)C(=O)O.OC[C@H]1CNC[C@H]([C@@H]1O)O
Complexity:
__
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Smiles: COC(=O)c1ccc(cc1C(F)(F)F)Br
Complexity: __
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Smiles:
COC(=O)c1ccc(cc1C(F)(F)F)Br
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Clc1c(nccc1B1OC(C(O1)(C)C)(C)C)N1CCOCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Clc1c(nccc1B1OC(C(O1)(C)C)(C)C)N1CCOCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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