AA78326
1562-93-2 | 4-(Phenylazo)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA78326
ChemicalName
4-(Phenylazo)benzoic acid
CasNumber
1562-93-2
MolecularFormula
C13H10N2O2
MolecularWeight
226.2307
MdlNumber
MFCD00020348
Smiles
OC(=O)c1ccc(cc1)N=Nc1ccccc1
NscNumber
2522
Complexity
277
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.6
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CatalogNumber: AA78326
ChemicalName: 4-(Phenylazo)benzoic acid
CasNumber: 1562-93-2
MolecularFormula: C13H10N2O2
MolecularWeight: 226.2307
MdlNumber: MFCD00020348
Smiles: OC(=O)c1ccc(cc1)N=Nc1ccccc1
NscNumber: 2522
Complexity: 277
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.6
CatalogNumber:
AA78326
ChemicalName:
4-(Phenylazo)benzoic acid
CasNumber:
1562-93-2
MolecularFormula:
C13H10N2O2
MolecularWeight:
226.2307
MdlNumber:
MFCD00020348
Smiles:
OC(=O)c1ccc(cc1)N=Nc1ccccc1
NscNumber:
2522
Complexity:
277
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCN(c1ccc2c(c1)[o+]c1c(n2)c(cc(c1O)O)C(=O)N)CC.[Cl-]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCN(c1ccc2c(c1)[o+]c1c(n2)c(cc(c1O)O)C(=O)N)CC.[Cl-]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA78328
ChemicalName: Gallocyanine
CasNumber: 1562-85-2
MolecularFormula: C15H13ClN2O5
MolecularWeight: 336.7271
MdlNumber: MFCD00011926
Smiles: Oc1cc(C(=O)O)c2c(c1O)[o+]c1c(n2)ccc(c1)N(C)C.[Cl-]
NscNumber: __
Complexity: 632
Covalently-bondedUnitCount: 2
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AA78328
ChemicalName:
Gallocyanine
CasNumber:
1562-85-2
MolecularFormula:
C15H13ClN2O5
MolecularWeight:
336.7271
MdlNumber:
MFCD00011926
Smiles:
Oc1cc(C(=O)O)c2c(c1O)[o+]c1c(n2)ccc(c1)N(C)C.[Cl-]
NscNumber:
__
Complexity:
632
Covalently-bondedUnitCount:
2
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OS(=O)(=O)O.NC(=N)NCCN1CCC(=CC1)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OS(=O)(=O)O.NC(=N)NCCN1CCC(=CC1)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__