AB69193
89003-95-2 | 4-Bromo-3-formylbenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB69193
ChemicalName
4-Bromo-3-formylbenzonitrile
CasNumber
89003-95-2
MolecularFormula
C8H4BrNO
MolecularWeight
210.0275
MdlNumber
MFCD11858309
Smiles
O=Cc1cc(C#N)ccc1Br
Complexity
196
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
1.8
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CatalogNumber: AB69193
ChemicalName: 4-Bromo-3-formylbenzonitrile
CasNumber: 89003-95-2
MolecularFormula: C8H4BrNO
MolecularWeight: 210.0275
MdlNumber: MFCD11858309
Smiles: O=Cc1cc(C#N)ccc1Br
Complexity: 196
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AB69193
ChemicalName:
4-Bromo-3-formylbenzonitrile
CasNumber:
89003-95-2
MolecularFormula:
C8H4BrNO
MolecularWeight:
210.0275
MdlNumber:
MFCD11858309
Smiles:
O=Cc1cc(C#N)ccc1Br
Complexity:
196
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: AB69194
ChemicalName: 5-Cyanopyridine-3-boronic acid
CasNumber: 497147-93-0
MolecularFormula: C6H5BN2O2
MolecularWeight: 147.9271
MdlNumber: MFCD07374882
Smiles: N#Cc1cncc(c1)B(O)O
Complexity: 177
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB69194
ChemicalName:
5-Cyanopyridine-3-boronic acid
CasNumber:
497147-93-0
MolecularFormula:
C6H5BN2O2
MolecularWeight:
147.9271
MdlNumber:
MFCD07374882
Smiles:
N#Cc1cncc(c1)B(O)O
Complexity:
177
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: AB69195
ChemicalName: 4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonitrile
CasNumber: 33097-13-1
MolecularFormula: C6H3Cl2N3S
MolecularWeight: 220.0791
MdlNumber: MFCD00474490
Smiles: CSc1nc(Cl)c(c(n1)Cl)C#N
Complexity: 192
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 2.7
CatalogNumber:
AB69195
ChemicalName:
4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonitrile
CasNumber:
33097-13-1
MolecularFormula:
C6H3Cl2N3S
MolecularWeight:
220.0791
MdlNumber:
MFCD00474490
Smiles:
CSc1nc(Cl)c(c(n1)Cl)C#N
Complexity:
192
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
2.7
CatalogNumber: AB69196
ChemicalName: 2-Methylsulfanyl-6-oxo-1,6-dihydro-pyrimidine-5-carbonitrile
CasNumber: 89487-99-0
MolecularFormula: C6H5N3OS
MolecularWeight: 167.1884
MdlNumber: MFCD00831720
Smiles: CSc1ncc(c(=O)[nH]1)C#N
Complexity: 296
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 0.1
CatalogNumber:
AB69196
ChemicalName:
2-Methylsulfanyl-6-oxo-1,6-dihydro-pyrimidine-5-carbonitrile
CasNumber:
89487-99-0
MolecularFormula:
C6H5N3OS
MolecularWeight:
167.1884
MdlNumber:
MFCD00831720
Smiles:
CSc1ncc(c(=O)[nH]1)C#N
Complexity:
296
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
0.1