AB54113

34372-72-0 | 2'-(Dibenzylamino)-6'-(diethylamino)fluoran

Manufacturer: A2B Chem

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CatalogNumber

AB54113

ChemicalName

2'-(Dibenzylamino)-6'-(diethylamino)fluoran

CasNumber

34372-72-0

MolecularFormula

C38H34N2O3

MolecularWeight

566.6882

MdlNumber

MFCD00100991

Smiles

CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(cc1)N(Cc1ccccc1)Cc1ccccc1)CC

Complexity

906

Covalently-bondedUnitCount

1

HeavyAtomCount

43

HydrogenBondAcceptorCount

5

RotatableBondCount

8

UndefinedAtomStereocenterCount

1

Xlogp3

8.1

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A2B Chem

AB54113

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CatalogNumber:
AB54113

ChemicalName:
2'-(Dibenzylamino)-6'-(diethylamino)fluoran

CasNumber:
34372-72-0

MolecularFormula:
C38H34N2O3

MolecularWeight:
566.6882

MdlNumber:
MFCD00100991

Smiles:
CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(cc1)N(Cc1ccccc1)Cc1ccccc1)CC

Complexity:
906

Covalently-bondedUnitCount:
1

HeavyAtomCount:
43

HydrogenBondAcceptorCount:
5

RotatableBondCount:
8

UndefinedAtomStereocenterCount:
1

Xlogp3:
8.1

Img

A2B Chem

AB54114

--


CatalogNumber:
AB54114

ChemicalName:
2-(Difluoromethoxy)benzoic acid

CasNumber:
97914-59-5

MolecularFormula:
C8H6F2O3

MolecularWeight:
188.1282

MdlNumber:
MFCD00236223

Smiles:
FC(Oc1ccccc1C(=O)O)F

Complexity:
184

Covalently-bondedUnitCount:
1

HeavyAtomCount:
13

HydrogenBondAcceptorCount:
5

RotatableBondCount:
3

UndefinedAtomStereocenterCount:
__

Xlogp3:
2.5

Img

A2B Chem

AB54115

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CatalogNumber:
__

ChemicalName:
__

CasNumber:
__

MolecularFormula:
__

MolecularWeight:
__

MdlNumber:
__

Smiles:
CC(=C)C(=O)OCCOP(=O)(OCC[N+](C)(C)C)[O-]

Complexity:
__

Covalently-bondedUnitCount:
__

HeavyAtomCount:
__

HydrogenBondAcceptorCount:
__

RotatableBondCount:
__

UndefinedAtomStereocenterCount:
__

Xlogp3:
__

Img

A2B Chem

AB54116

--


CatalogNumber:
__

ChemicalName:
__

CasNumber:
__

MolecularFormula:
__

MolecularWeight:
__

MdlNumber:
__

Smiles:
CSc1ccccc1N

Complexity:
85

Covalently-bondedUnitCount:
__

HeavyAtomCount:
__

HydrogenBondAcceptorCount:
__

RotatableBondCount:
__

UndefinedAtomStereocenterCount:
__

Xlogp3:
1.8