AI54083
632-58-6 | Tetrachlorophthalic acid hemihydrate
Manufacturer: A2B Chem
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CatalogNumber
AI54083
ChemicalName
Tetrachlorophthalic acid hemihydrate
CasNumber
632-58-6
MolecularFormula
C8H2Cl4O4
MolecularWeight
303.91107999999997
MdlNumber
MFCD00053309
Smiles
OC(=O)c1c(C(=O)O)c(Cl)c(c(c1Cl)Cl)Cl
NscNumber
193510
Complexity
280
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
3.5
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CatalogNumber: AI54083
ChemicalName: Tetrachlorophthalic acid hemihydrate
CasNumber: 632-58-6
MolecularFormula: C8H2Cl4O4
MolecularWeight: 303.91107999999997
MdlNumber: MFCD00053309
Smiles: OC(=O)c1c(C(=O)O)c(Cl)c(c(c1Cl)Cl)Cl
NscNumber: 193510
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 3.5
CatalogNumber:
AI54083
ChemicalName:
Tetrachlorophthalic acid hemihydrate
CasNumber:
632-58-6
MolecularFormula:
C8H2Cl4O4
MolecularWeight:
303.91107999999997
MdlNumber:
MFCD00053309
Smiles:
OC(=O)c1c(C(=O)O)c(Cl)c(c(c1Cl)Cl)Cl
NscNumber:
193510
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
3.5
CatalogNumber: AI54084
ChemicalName: Wogonin
CasNumber: 632-85-9
MolecularFormula: C16H12O5
MolecularWeight: 284.2635
MdlNumber: MFCD00017736
Smiles: COc1c(O)cc(c2c1oc(cc2=O)c1ccccc1)O
NscNumber: 717845
Complexity: 426
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AI54084
ChemicalName:
Wogonin
CasNumber:
632-85-9
MolecularFormula:
C16H12O5
MolecularWeight:
284.2635
MdlNumber:
MFCD00017736
Smiles:
COc1c(O)cc(c2c1oc(cc2=O)c1ccccc1)O
NscNumber:
717845
Complexity:
426
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N=C1C=CC(=C(c2ccc(c(c2)C)N)c2ccc(cc2)N)C=C1.Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N=C1C=CC(=C(c2ccc(c(c2)C)N)c2ccc(cc2)N)C=C1.Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI54086
ChemicalName: 3-Amino-4-hydroxypyridine
CasNumber: 6320-39-4
MolecularFormula: C5H6N2O
MolecularWeight: 110.1139
MdlNumber: MFCD16661222
Smiles: O=c1cc[nH]cc1N
NscNumber: 31886
Complexity: 169
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: -0.3
CatalogNumber:
AI54086
ChemicalName:
3-Amino-4-hydroxypyridine
CasNumber:
6320-39-4
MolecularFormula:
C5H6N2O
MolecularWeight:
110.1139
MdlNumber:
MFCD16661222
Smiles:
O=c1cc[nH]cc1N
NscNumber:
31886
Complexity:
169
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
-0.3