Marineblau 018112

CAT: 1596-AR-M03905-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M03905-01Size:10 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

118685-33-9

Molecular Formula

C39H23ClCrN7Na2O12S

Molecular Weight

947.14

API Name

Marineblau

Chemical Information

Disodium (1-((5-chloro-2-hydroxyphenyl)azo)-2-naphthalenolato(2-))(4-hydroxy-3-((2-hydroxy-3,5-dinitrophenyl)azo)-7-((4-methoxyphenyl)amino)-2-naphthalenesulfonato(3-)) chromate(2-)

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CAS Number	118685-33-9
PubChem CID	129318128
IUPAC Name	disodium;1-[(5-chloro-2-oxidophenyl)diazenyl]naphthalen-2-olate;chromium(3+);3-[(3,5-dinitro-2-oxidophenyl)diazenyl]-7-(4-methoxyanilino)-4-oxidonaphthalene-2-sulfonate
Molecular Formula	C39H23ClCrN7Na2O12S
Molecular Weight	947.1
Topological Polar Surface Area	320
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	3
Heavy Atom Count	63
Formal Charge	0
Complexity	1590

SMILES

COC1=CC=C(C=C1)NC2=CC3=CC(=C(C(=C3C=C2)[O-])N=NC4=C(C(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])[O-])S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)Cl)[O-])[O-].[Na+].[Na+].[Cr+3]

InChI

InChI=1S/C23H17N5O10S.C16H11ClN2O2.Cr.2Na/c1-38-16-5-2-13(3-6-16)24-14-4-7-17-12(8-14)9-20(39(35,36)37)21(22(17)29)26-25-18-10-15(27(31)32)11-19(23(18)30)28(33)34;17-11-6-8-14(20)13(9-11)18-19-16-12-4-2-1-3-10(12)5-7-15(16)21;;;/h2-11,24,29-30H,1H3,(H,35,36,37);1-9,20-21H;;;/q;;+3;2*+1/p-5

InChIKey

RCYWDAZSWKWRIV-UHFFFAOYSA-I

Chemical Structure

2D Structure

CAS: 118685-33-9

CID: 129318128

Formula: C39H23ClCrN7Na2O12S

MW: 947.1

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	947.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	3
Exact Mass	946.001436
Monoisotopic Mass	946.001436
Topological Polar Surface Area	320 Å²
Heavy Atom Count	63
Formal Charge	0
Complexity	1590
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	5
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
TRC-N926250-50MG	Navy Blue 018112

Marineblau 018112

Chemical Information

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