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2475-31-2 | Vat Blue 4B
CAS No: 2475-31-2 Catalog No: AG003VAO MDL No:MFCD00049382
Product Description
Catalog Number:
AG003VAO
Chemical Name:
Vat Blue 4B
CAS Number:
2475-31-2
MDL Number:
MFCD00049382
IUPAC Name:
5,7-dibromo-2-(5,7-dibromo-3-hydroxy-1H-indol-2-yl)indol-3-one
InChI:
InChI=1S/C16H6Br4N2O2/c17-5-1-7-11(9(19)3-5)21-13(15(7)23)14-16(24)8-2-6(18)4-10(20)12(8)22-14/h1-4,21,23H
InChI Key:
ZLHGTHCCYUEAIK-UHFFFAOYSA-N
EC Number:
219-598-1
UNII:
2SUG1ZB17N
NSC Number:
400980
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
577.712g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
577.852g/mol
Monoisotopic Mass:
573.716g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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