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Indophenol blue

CAS No.:
132-31-0
Catalog Number:
AG00101S
Molecular Formula:
C18H16N2O
Molecular Weight:
276.3324
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$116
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Product Description
Catalog Number:
AG00101S
Chemical Name:
Indophenol blue
CAS Number:
132-31-0
Molecular Formula:
C18H16N2O
Molecular Weight:
276.3324
MDL Number:
MFCD00041739
IUPAC Name:
4-[4-(dimethylamino)phenyl]iminonaphthalen-1-one
InChI:
InChI=1S/C18H16N2O/c1-20(2)14-9-7-13(8-10-14)19-17-11-12-18(21)16-6-4-3-5-15(16)17/h3-12H,1-2H3
InChI Key:
VRZJGENLTNRAIG-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)N=C1C=CC(=O)c2c1cccc2)C
EC Number:
205-056-1
NSC Number:
132125
Properties
Complexity:
444  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.126g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.339g/mol
Monoisotopic Mass:
276.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties