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Direct Fast Brown BX

CAT: 0024-sc-487068Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-487068Size:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3476-90-2

Chemical Information

Direct Fast Brown BX
CAS Number3476-90-2
PubChem CID135571184
IUPAC Namedisodium;5-[[4-[4-[(7-anilino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoate
Molecular FormulaC35H23N5Na2O7S
Molecular Weight703.6
Topological Polar Surface Area208
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Heavy Atom Count50
Formal Charge0
Complexity1210
SMILES
C1=CC=C(C=C1)NC2=CC3=C(C(=C(C=C3C=C2)S(=O)(=O)[O-])N=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=NC6=CC(=C(C=C6)O)C(=O)[O-])O.[Na+].[Na+]
InChI
InChI=1S/C35H25N5O7S.2Na/c41-31-17-16-28(20-30(31)35(43)44)39-37-25-11-6-21(7-12-25)22-8-13-26(14-9-22)38-40-33-32(48(45,46)47)18-23-10-15-27(19-29(23)34(33)42)36-24-4-2-1-3-5-24;;/h1-20,36,41-42H,(H,43,44)(H,45,46,47);;/q;2*+1/p-2
InChIKey
KXSNOAIRJITAFI-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Direct Fast Brown BX
CAS: 3476-90-2
CID: 135571184
Formula: C35H23N5Na2O7S
MW: 703.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight703.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass703.11135783
Monoisotopic Mass703.11135783
Topological Polar Surface Area208 Ų
Heavy Atom Count50
Formal Charge0
Complexity1210
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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