Products for Research Use Only
RegisterLogin

C.I.Vat green 2

CAT: 0926-FV41517-01Size: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-FV41517-01Size:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
25704-81-8
MDL Number
MFCD01730406
Smiles
COC1=C2C3=C (C=CC4=C3C (=C1) C5=C (C4=O) C=CC (=C5) Br) C6=C7C2=C (C=C8C7=C (C=C6) C (=O) C9=C8C=C (C=C9) Br) OC
Molecular Formula
C36H18Br2O4
Molecular Weight
674.33 g/mol
Controlled
No

Chemical Information

C.I. 59830
CAS Number25704-81-8
PubChem CID3033876
IUPAC Name15,29-dibromo-30,34-dimethoxynonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3,5(33),6,8,10,13,15,17(31),18,20(32),22,24,26,28-hexadecaene-12,21-dione
Molecular FormulaC36H18Br2O4
Molecular Weight674.3
XLogP9.4
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count42
Formal Charge0
Complexity1130
SMILES
COC1=C2C3=C4C(=C1)C5=CC=CC=C5C(=O)C4=CC(=C3C6=C7C2=C(C(=C8C7=C(C=C6)C(=O)C9=CC=CC=C98)Br)OC)Br
InChI
InChI=1S/C36H18Br2O4/c1-41-24-14-21-15-7-3-5-9-17(15)35(40)22-13-23(37)26-19-11-12-20-28-27(19)32(30(24)31(26)25(21)22)36(42-2)33(38)29(28)16-8-4-6-10-18(16)34(20)39/h3-14H,1-2H3
InChIKey
WRXJEOCPOOEWII-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of C.I. 59830
CAS: 25704-81-8
CID: 3033876
Formula: C36H18Br2O4
MW: 674.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight674.3
XLogP39.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass673.95513
Monoisotopic Mass671.95718
Topological Polar Surface Area52.6 Ų
Heavy Atom Count42
Formal Charge0
Complexity1130
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
FV41513-01C.I.Vat green 1
FV41520C.I.Vat green 8
FV41521-01Vat green 9
FV41529-01C.I.Vat Yellow 2
FS41468-01C.I.Solvent green 28
FA39409-01C.I.Acid green 41
FD41374-01C.I.Direct green 26
FV33617-01Vat Orange 3 - Technical
FV41512-01Vat Blue 6 - Technical grade
FB41348-01C.I.Basic Red 2

Alternative Products

CatalogName
89990680Vat Green 9
T20010-01CI Vat Green 1
591448C.I. Solvent Green 3
HY-D0440C.I. Direct green 28
HY-D0419C.I. Direct green 26
38834671-100gBrilliant Green (C.I. 42040)
11327043Methyl green (C.I.42590)
RRBD4-WBrilliant Green C.I. 42040
GTR19345721-01C.I. Acid green 27
GTR19345673-01C.I. Mordant green 17

Popular Products