AI58395
87362-32-1 | 2-Pyrimidinecarbonitrile,5-methoxy-
Manufacturer: A2B Chem
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CatalogNumber
AI58395
ChemicalName
2-Pyrimidinecarbonitrile,5-methoxy-
CasNumber
87362-32-1
MolecularFormula
C6H5N3O
MolecularWeight
135.1234
MdlNumber
MFCD00223675
Smiles
COc1cnc(nc1)C#N
Complexity
142
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
0.2
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CatalogNumber: AI58395
ChemicalName: 2-Pyrimidinecarbonitrile,5-methoxy-
CasNumber: 87362-32-1
MolecularFormula: C6H5N3O
MolecularWeight: 135.1234
MdlNumber: MFCD00223675
Smiles: COc1cnc(nc1)C#N
Complexity: 142
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 0.2
CatalogNumber:
AI58395
ChemicalName:
2-Pyrimidinecarbonitrile,5-methoxy-
CasNumber:
87362-32-1
MolecularFormula:
C6H5N3O
MolecularWeight:
135.1234
MdlNumber:
MFCD00223675
Smiles:
COc1cnc(nc1)C#N
Complexity:
142
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
0.2
CatalogNumber: AI58396
ChemicalName: 2,3-Diaminophenylboronic acid pinacol ester
CasNumber: 873663-50-4
MolecularFormula: C12H19BN2O2
MolecularWeight: 234.1025
MdlNumber: MFCD22494032
Smiles: CC1(C)OB(OC1(C)C)c1cccc(c1N)N
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AI58396
ChemicalName:
2,3-Diaminophenylboronic acid pinacol ester
CasNumber:
873663-50-4
MolecularFormula:
C12H19BN2O2
MolecularWeight:
234.1025
MdlNumber:
MFCD22494032
Smiles:
CC1(C)OB(OC1(C)C)c1cccc(c1N)N
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CC(=O)c1cccc(c1F)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CC(=O)c1cccc(c1F)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NNc1cc(cc(c1)C(=O)O)C(=O)O.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NNc1cc(cc(c1)C(=O)O)C(=O)O.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__