AB52417
1064-48-8 | Acid Black 1
Manufacturer: A2B Chem
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CatalogNumber
AB52417
ChemicalName
Acid Black 1
CasNumber
1064-48-8
MolecularFormula
C22H14N6Na2O9S2
MolecularWeight
616.4909
MdlNumber
MFCD00004017
Smiles
O=C1c2c(cc(c(c2N)N=Nc2ccc(cc2)[N+](=O)[O-])S(=O)(=O)[O-])C=C(/C/1=N/Nc1ccccc1)S(=O)(=O)[O-].[Na+].[Na+]
Complexity
1110
Covalently-bondedUnitCount
3
HeavyAtomCount
41
HydrogenBondAcceptorCount
14
HydrogenBondDonorCount
2
RotatableBondCount
4
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CatalogNumber: AB52417
ChemicalName: Acid Black 1
CasNumber: 1064-48-8
MolecularFormula: C22H14N6Na2O9S2
MolecularWeight: 616.4909
MdlNumber: MFCD00004017
Smiles: O=C1c2c(cc(c(c2N)N=Nc2ccc(cc2)[N+](=O)[O-])S(=O)(=O)[O-])C=C(/C/1=N/Nc1ccccc1)S(=O)(=O)[O-].[Na+].[Na+]
Complexity: 1110
Covalently-bondedUnitCount: 3
HeavyAtomCount: 41
HydrogenBondAcceptorCount: 14
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AB52417
ChemicalName:
Acid Black 1
CasNumber:
1064-48-8
MolecularFormula:
C22H14N6Na2O9S2
MolecularWeight:
616.4909
MdlNumber:
MFCD00004017
Smiles:
O=C1c2c(cc(c(c2N)N=Nc2ccc(cc2)[N+](=O)[O-])S(=O)(=O)[O-])C=C(/C/1=N/Nc1ccccc1)S(=O)(=O)[O-].[Na+].[Na+]
Complexity:
1110
Covalently-bondedUnitCount:
3
HeavyAtomCount:
41
HydrogenBondAcceptorCount:
14
HydrogenBondDonorCount:
2
RotatableBondCount:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)c1cc(/N=N/c2cccc(c2)[N+](=O)[O-])ccc1O.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(=O)c1cc(/N=N/c2cccc(c2)[N+](=O)[O-])ccc1O.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1c2ccccc2C(=O)c2c1cc(c(c2O)O)S(=O)(=O)[O-].[Na+]
Complexity: 599
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1c2ccccc2C(=O)c2c1cc(c(c2O)O)S(=O)(=O)[O-].[Na+]
Complexity:
599
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AB52420
ChemicalName: Rose bengal
CasNumber: 632-69-9
MolecularFormula: C20H2Cl4I4Na2O5
MolecularWeight: 1017.6363
MdlNumber: MFCD00151169
Smiles: [O-]c1c(I)cc2c(c1I)Oc1c(C32OC(=O)c2c3c(Cl)c(Cl)c(c2Cl)Cl)cc(c(c1I)[O-])I.[Na+].[Na+]
Complexity: 780
Covalently-bondedUnitCount: 3
HeavyAtomCount: 35
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
AB52420
ChemicalName:
Rose bengal
CasNumber:
632-69-9
MolecularFormula:
C20H2Cl4I4Na2O5
MolecularWeight:
1017.6363
MdlNumber:
MFCD00151169
Smiles:
[O-]c1c(I)cc2c(c1I)Oc1c(C32OC(=O)c2c3c(Cl)c(Cl)c(c2Cl)Cl)cc(c(c1I)[O-])I.[Na+].[Na+]
Complexity:
780
Covalently-bondedUnitCount:
3
HeavyAtomCount:
35
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
__