AB50351
21085-72-3 | Acetobromo-alpha-D-glucuronic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB50351
ChemicalName
Acetobromo-alpha-D-glucuronic acid methyl ester
CasNumber
21085-72-3
MolecularFormula
C13H17BrO9
MolecularWeight
397.1727
MdlNumber
MFCD00061613
Smiles
COC(=O)[C@H]1O[C@H](Br)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
Complexity
492
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
5
HeavyAtomCount
23
HydrogenBondAcceptorCount
9
RotatableBondCount
8
Xlogp3
0.6
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CatalogNumber: AB50351
ChemicalName: Acetobromo-alpha-D-glucuronic acid methyl ester
CasNumber: 21085-72-3
MolecularFormula: C13H17BrO9
MolecularWeight: 397.1727
MdlNumber: MFCD00061613
Smiles: COC(=O)[C@H]1O[C@H](Br)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
Complexity: 492
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 5
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 9
RotatableBondCount: 8
Xlogp3: 0.6
CatalogNumber:
AB50351
ChemicalName:
Acetobromo-alpha-D-glucuronic acid methyl ester
CasNumber:
21085-72-3
MolecularFormula:
C13H17BrO9
MolecularWeight:
397.1727
MdlNumber:
MFCD00061613
Smiles:
COC(=O)[C@H]1O[C@H](Br)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
Complexity:
492
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
5
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
9
RotatableBondCount:
8
Xlogp3:
0.6
CatalogNumber: AB50352
ChemicalName: 4-Chloro-3-nitrobenzenesulfonic acid
CasNumber: 121-18-6
MolecularFormula: C6H4ClNO5S
MolecularWeight: 237.6177
MdlNumber: MFCD00274152
Smiles: [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)O
Complexity: 318
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 1
CatalogNumber:
AB50352
ChemicalName:
4-Chloro-3-nitrobenzenesulfonic acid
CasNumber:
121-18-6
MolecularFormula:
C6H4ClNO5S
MolecularWeight:
237.6177
MdlNumber:
MFCD00274152
Smiles:
[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)O
Complexity:
318
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
1
CatalogNumber: AB50353
ChemicalName: 6-Cyano-2-(trifluoromethyl)nicotinic acid
CasNumber: 1211537-27-7
MolecularFormula: C8H3F3N2O2
MolecularWeight: 216.1168
MdlNumber: MFCD18256578
Smiles: N#Cc1ccc(c(n1)C(F)(F)F)C(=O)O
Complexity: 307
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 7
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AB50353
ChemicalName:
6-Cyano-2-(trifluoromethyl)nicotinic acid
CasNumber:
1211537-27-7
MolecularFormula:
C8H3F3N2O2
MolecularWeight:
216.1168
MdlNumber:
MFCD18256578
Smiles:
N#Cc1ccc(c(n1)C(F)(F)F)C(=O)O
Complexity:
307
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
7
RotatableBondCount:
1
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(cn1)C(=O)Cc1ccc(cc1)S(=O)(=O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(cn1)C(=O)Cc1ccc(cc1)S(=O)(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__