AA26006
1232424-44-0 | Methyl 4-bromo-3-cyanobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AA26006
ChemicalName
Methyl 4-bromo-3-cyanobenzoate
CasNumber
1232424-44-0
MolecularFormula
C9H6BrNO2
MolecularWeight
240.05344
MdlNumber
MFCD18398742
Smiles
COC(=O)c1ccc(c(c1)C#N)Br
Complexity
245
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AA26006
ChemicalName: Methyl 4-bromo-3-cyanobenzoate
CasNumber: 1232424-44-0
MolecularFormula: C9H6BrNO2
MolecularWeight: 240.05344
MdlNumber: MFCD18398742
Smiles: COC(=O)c1ccc(c(c1)C#N)Br
Complexity: 245
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AA26006
ChemicalName:
Methyl 4-bromo-3-cyanobenzoate
CasNumber:
1232424-44-0
MolecularFormula:
C9H6BrNO2
MolecularWeight:
240.05344
MdlNumber:
MFCD18398742
Smiles:
COC(=O)c1ccc(c(c1)C#N)Br
Complexity:
245
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C#Cc1nc(Br)cnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C#Cc1nc(Br)cnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA26008
ChemicalName: 3-(3-{4-[(methylamino)methyl]phenyl}-1,2-oxazol-5-yl)-5-[4-(propane-2-sulfonyl)phenyl]pyrazin-2-amine
CasNumber: 1232416-25-9
MolecularFormula: C24H25N5O3S
MolecularWeight: 463.552
MdlNumber: MFCD27976794
Smiles: CNCc1ccc(cc1)c1noc(c1)c1nc(cnc1N)c1ccc(cc1)S(=O)(=O)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AA26008
ChemicalName:
3-(3-{4-[(methylamino)methyl]phenyl}-1,2-oxazol-5-yl)-5-[4-(propane-2-sulfonyl)phenyl]pyrazin-2-amine
CasNumber:
1232416-25-9
MolecularFormula:
C24H25N5O3S
MolecularWeight:
463.552
MdlNumber:
MFCD27976794
Smiles:
CNCc1ccc(cc1)c1noc(c1)c1nc(cnc1N)c1ccc(cc1)S(=O)(=O)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA26009
ChemicalName: 3-Amino-6-(4-methanesulfonylphenyl)-N-phenylpyrazine-2-carboxamide
CasNumber: 1232410-49-9
MolecularFormula: C18H16N4O3S
MolecularWeight: 368.4096
MdlNumber: MFCD19443686
Smiles: O=C(c1nc(cnc1N)c1ccc(cc1)S(=O)(=O)C)Nc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AA26009
ChemicalName:
3-Amino-6-(4-methanesulfonylphenyl)-N-phenylpyrazine-2-carboxamide
CasNumber:
1232410-49-9
MolecularFormula:
C18H16N4O3S
MolecularWeight:
368.4096
MdlNumber:
MFCD19443686
Smiles:
O=C(c1nc(cnc1N)c1ccc(cc1)S(=O)(=O)C)Nc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__