AB62997
34253-03-7 | Methyl pyrimidine-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB62997
ChemicalName
Methyl pyrimidine-2-carboxylate
CasNumber
34253-03-7
MolecularFormula
C6H6N2O2
MolecularWeight
138.12404
MdlNumber
MFCD03426929
Smiles
COC(=O)c1ncccn1
Complexity
121
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
-0.7
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CatalogNumber: AB62997
ChemicalName: Methyl pyrimidine-2-carboxylate
CasNumber: 34253-03-7
MolecularFormula: C6H6N2O2
MolecularWeight: 138.12404
MdlNumber: MFCD03426929
Smiles: COC(=O)c1ncccn1
Complexity: 121
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: -0.7
CatalogNumber:
AB62997
ChemicalName:
Methyl pyrimidine-2-carboxylate
CasNumber:
34253-03-7
MolecularFormula:
C6H6N2O2
MolecularWeight:
138.12404
MdlNumber:
MFCD03426929
Smiles:
COC(=O)c1ncccn1
Complexity:
121
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
-0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCN1CCC[C@@H]1C(=O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCN1CCC[C@@H]1C(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CCCN1.Br[BrH]Br
Complexity: 69.9
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CCCN1.Br[BrH]Br
Complexity:
69.9
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB63000
ChemicalName: Quinoxaline-2-carbonitrile
CasNumber: 7483-33-2
MolecularFormula: C9H5N3
MolecularWeight: 155.1561
MdlNumber: MFCD12403337
Smiles: N#Cc1cnc2c(n1)cccc2
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
Xlogp3: 1.3
CatalogNumber:
AB63000
ChemicalName:
Quinoxaline-2-carbonitrile
CasNumber:
7483-33-2
MolecularFormula:
C9H5N3
MolecularWeight:
155.1561
MdlNumber:
MFCD12403337
Smiles:
N#Cc1cnc2c(n1)cccc2
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__
Xlogp3:
1.3