AI52203
5439-08-7 | Methyl 3,5-dichloropicolinate
Manufacturer: A2B Chem
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CatalogNumber
AI52203
ChemicalName
Methyl 3,5-dichloropicolinate
CasNumber
5439-08-7
MolecularFormula
C7H5Cl2NO2
MolecularWeight
206.0261
MdlNumber
MFCD09839147
Smiles
COC(=O)c1ncc(cc1Cl)Cl
NscNumber
15054
Complexity
177
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
2.3
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CatalogNumber: AI52203
ChemicalName: Methyl 3,5-dichloropicolinate
CasNumber: 5439-08-7
MolecularFormula: C7H5Cl2NO2
MolecularWeight: 206.0261
MdlNumber: MFCD09839147
Smiles: COC(=O)c1ncc(cc1Cl)Cl
NscNumber: 15054
Complexity: 177
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AI52203
ChemicalName:
Methyl 3,5-dichloropicolinate
CasNumber:
5439-08-7
MolecularFormula:
C7H5Cl2NO2
MolecularWeight:
206.0261
MdlNumber:
MFCD09839147
Smiles:
COC(=O)c1ncc(cc1Cl)Cl
NscNumber:
15054
Complexity:
177
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.3
CatalogNumber: AI52204
ChemicalName: 2,4-Dihydroxy-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CasNumber: 5439-88-3
MolecularFormula: C9H10N2O4
MolecularWeight: 210.1867
MdlNumber: MFCD23378423
Smiles: Oc1nc(O)c2c(n1)CCC(C2)C(=O)O
NscNumber: 15392
Complexity: 386
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: -0.8
CatalogNumber:
AI52204
ChemicalName:
2,4-Dihydroxy-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CasNumber:
5439-88-3
MolecularFormula:
C9H10N2O4
MolecularWeight:
210.1867
MdlNumber:
MFCD23378423
Smiles:
Oc1nc(O)c2c(n1)CCC(C2)C(=O)O
NscNumber:
15392
Complexity:
386
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
-0.8
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: O=C(N1C[C@H]2[C@@H](C1)CCCC2=O)OC(C)(C)C
NscNumber: __
Complexity: 332
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.3
CatalogNumber:
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Smiles:
O=C(N1C[C@H]2[C@@H](C1)CCCC2=O)OC(C)(C)C
NscNumber:
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Complexity:
332
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.3
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Smiles: [O-][C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1[O-])n1ccc(nc1=O)N.[Na+].[Na+]
NscNumber: __
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1[O-])n1ccc(nc1=O)N.[Na+].[Na+]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__