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118129-60-5

118129-60-5 | 1,7-Dibromo-3,4,9,10-perylenetetracarboxylic dianhydride

CAS No: 118129-60-5 Catalog No: AG0038B7 MDL No:MFCD11870875

Product Description

Catalog Number:
AG0038B7
Chemical Name:
1,7-Dibromo-3,4,9,10-perylenetetracarboxylic dianhydride
CAS Number:
118129-60-5
Molecular Formula:
C24H6Br2O6
Molecular Weight:
550.1088
MDL Number:
MFCD11870875
IUPAC Name:
11,22-dibromo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
InChI:
InChI=1S/C24H6Br2O6/c25-13-5-12-16-10(22(28)32-24(12)30)4-2-8-18-14(26)6-11-15-9(21(27)31-23(11)29)3-1-7(19(15)18)17(13)20(8)16/h1-6H
InChI Key:
WPBVUAVIGWNDGT-UHFFFAOYSA-N
SMILES:
Brc1cc2C(=O)OC(=O)c3c2c2c1c1ccc4c5c1c(c2cc3)c(cc5C(=O)OC4=O)Br

Properties

Complexity:
862  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
549.851g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
550.114g/mol
Monoisotopic Mass:
547.853g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9  

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