AC14597
876161-05-6 | 5-bromopyrazine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AC14597
ChemicalName
5-bromopyrazine-2-carboxylic acid
CasNumber
876161-05-6
MolecularFormula
C5H3BrN2O2
MolecularWeight
202.99351999999996
MdlNumber
MFCD09909672
Smiles
OC(=O)c1cnc(cn1)Br
Complexity
142
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.7
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CatalogNumber: AC14597
ChemicalName: 5-bromopyrazine-2-carboxylic acid
CasNumber: 876161-05-6
MolecularFormula: C5H3BrN2O2
MolecularWeight: 202.99351999999996
MdlNumber: MFCD09909672
Smiles: OC(=O)c1cnc(cn1)Br
Complexity: 142
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.7
CatalogNumber:
AC14597
ChemicalName:
5-bromopyrazine-2-carboxylic acid
CasNumber:
876161-05-6
MolecularFormula:
C5H3BrN2O2
MolecularWeight:
202.99351999999996
MdlNumber:
MFCD09909672
Smiles:
OC(=O)c1cnc(cn1)Br
Complexity:
142
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.7
CatalogNumber: AC14602
ChemicalName: 3-Bromo-5-trifluoromethylbenzaldehyde oxime
CasNumber: 876132-77-3
MolecularFormula: C8H5BrF3NO
MolecularWeight: 268.0306
MdlNumber: MFCD09475833
Smiles: O/N=C/c1cc(Br)cc(c1)C(F)(F)F
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.2
CatalogNumber:
AC14602
ChemicalName:
3-Bromo-5-trifluoromethylbenzaldehyde oxime
CasNumber:
876132-77-3
MolecularFormula:
C8H5BrF3NO
MolecularWeight:
268.0306
MdlNumber:
MFCD09475833
Smiles:
O/N=C/c1cc(Br)cc(c1)C(F)(F)F
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: CC(CNC(=O)C(Cl)C)C
Complexity: __
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Smiles:
CC(CNC(=O)C(Cl)C)C
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RotatableBondCount:
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Smiles: N#Cc1ccc(cc1)C(=O)N1CCOCC1
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Smiles:
N#Cc1ccc(cc1)C(=O)N1CCOCC1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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