AA67274
14121-55-2 | 2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA67274
ChemicalName
2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid
CasNumber
14121-55-2
MolecularFormula
C9H6N2O4
MolecularWeight
206.1549
MdlNumber
MFCD00907425
Smiles
OC(=O)c1ccc2c(c1)[nH]c(=O)c(=O)[nH]2
NscNumber
211121
Complexity
328
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
1
Xlogp3
-0.3
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CatalogNumber: AA67274
ChemicalName: 2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid
CasNumber: 14121-55-2
MolecularFormula: C9H6N2O4
MolecularWeight: 206.1549
MdlNumber: MFCD00907425
Smiles: OC(=O)c1ccc2c(c1)[nH]c(=O)c(=O)[nH]2
NscNumber: 211121
Complexity: 328
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: -0.3
CatalogNumber:
AA67274
ChemicalName:
2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid
CasNumber:
14121-55-2
MolecularFormula:
C9H6N2O4
MolecularWeight:
206.1549
MdlNumber:
MFCD00907425
Smiles:
OC(=O)c1ccc2c(c1)[nH]c(=O)c(=O)[nH]2
NscNumber:
211121
Complexity:
328
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
-0.3
CatalogNumber: AA67275
ChemicalName: Benzothioxanthene dicarboxylic anhydride
CasNumber: 14121-49-4
MolecularFormula: C18H8O3S
MolecularWeight: 304.3193
MdlNumber: MFCD00624327
Smiles: O=c1oc(=O)c2c3c1ccc1c3c(cc2)sc2c1cccc2
NscNumber: __
Complexity: 519
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.3
CatalogNumber:
AA67275
ChemicalName:
Benzothioxanthene dicarboxylic anhydride
CasNumber:
14121-49-4
MolecularFormula:
C18H8O3S
MolecularWeight:
304.3193
MdlNumber:
MFCD00624327
Smiles:
O=c1oc(=O)c2c3c1ccc1c3c(cc2)sc2c1cccc2
NscNumber:
__
Complexity:
519
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.3
CatalogNumber: AA67278
ChemicalName: 2,3,4,6-Tetrachloropyridine
CasNumber: 14121-36-9
MolecularFormula: C5HCl4N
MolecularWeight: 216.8801
MdlNumber: MFCD01312169
Smiles: Clc1cc(Cl)c(c(n1)Cl)Cl
NscNumber: __
Complexity: 120
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4
CatalogNumber:
AA67278
ChemicalName:
2,3,4,6-Tetrachloropyridine
CasNumber:
14121-36-9
MolecularFormula:
C5HCl4N
MolecularWeight:
216.8801
MdlNumber:
MFCD01312169
Smiles:
Clc1cc(Cl)c(c(n1)Cl)Cl
NscNumber:
__
Complexity:
120
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(NCCc1c[nH]c2c1cccc2)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(NCCc1c[nH]c2c1cccc2)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__