AB49907
454-16-0 | 2-Fluoro-5-nitroanisole
Manufacturer: A2B Chem
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CatalogNumber
AB49907
ChemicalName
2-Fluoro-5-nitroanisole
CasNumber
454-16-0
MolecularFormula
C7H6FNO3
MolecularWeight
171.1258
MdlNumber
MFCD07782081
Smiles
COc1cc(ccc1F)[N+](=O)[O-]
Complexity
171
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
2.3
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CatalogNumber: AB49907
ChemicalName: 2-Fluoro-5-nitroanisole
CasNumber: 454-16-0
MolecularFormula: C7H6FNO3
MolecularWeight: 171.1258
MdlNumber: MFCD07782081
Smiles: COc1cc(ccc1F)[N+](=O)[O-]
Complexity: 171
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AB49907
ChemicalName:
2-Fluoro-5-nitroanisole
CasNumber:
454-16-0
MolecularFormula:
C7H6FNO3
MolecularWeight:
171.1258
MdlNumber:
MFCD07782081
Smiles:
COc1cc(ccc1F)[N+](=O)[O-]
Complexity:
171
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
2.3
CatalogNumber: AB49908
ChemicalName: Methyl 4-hydroxypyrimidine-5-carboxylate
CasNumber: 4774-35-0
MolecularFormula: C6H6N2O3
MolecularWeight: 154.1234
MdlNumber: MFCD01632117
Smiles: COC(=O)c1cncnc1O
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: -0.6
CatalogNumber:
AB49908
ChemicalName:
Methyl 4-hydroxypyrimidine-5-carboxylate
CasNumber:
4774-35-0
MolecularFormula:
C6H6N2O3
MolecularWeight:
154.1234
MdlNumber:
MFCD01632117
Smiles:
COC(=O)c1cncnc1O
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
-0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1nc[nH]c(c1)Cl
Complexity: 173
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1nc[nH]c(c1)Cl
Complexity:
173
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.1
CatalogNumber: AB49910
ChemicalName: 6-Biopterin
CasNumber: 22150-76-1
MolecularFormula: C9H11N5O3
MolecularWeight: 237.2153
MdlNumber: MFCD00036787
Smiles: C[C@@H]([C@@H](c1cnc2c(n1)c(O)nc(n2)N)O)O
Complexity: 348
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
RotatableBondCount: 2
Xlogp3: -2.4
CatalogNumber:
AB49910
ChemicalName:
6-Biopterin
CasNumber:
22150-76-1
MolecularFormula:
C9H11N5O3
MolecularWeight:
237.2153
MdlNumber:
MFCD00036787
Smiles:
C[C@@H]([C@@H](c1cnc2c(n1)c(O)nc(n2)N)O)O
Complexity:
348
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
RotatableBondCount:
2
Xlogp3:
-2.4