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1214906-01-0 | Pyrrolo[3,4-c]pyrrole-1,4-dione, 3,6-bis(5-bromo-2-thienyl)-2,5-dihexyl-2,5-dihydro-
CAS No: 1214906-01-0 Catalog No: AG00151W MDL No:
Product Description
Catalog Number:
AG00151W
Chemical Name:
Pyrrolo[3,4-c]pyrrole-1,4-dione, 3,6-bis(5-bromo-2-thienyl)-2,5-dihexyl-2,5-dihydro-
CAS Number:
1214906-01-0
Molecular Formula:
C26H30Br2N2O2S2
Molecular Weight:
626.4666
IUPAC Name:
1,4-bis(5-bromothiophen-2-yl)-2,5-dihexylpyrrolo[3,4-c]pyrrole-3,6-dione
InChI:
InChI=1S/C26H30Br2N2O2S2/c1-3-5-7-9-15-29-23(17-11-13-19(27)33-17)21-22(25(29)31)24(18-12-14-20(28)34-18)30(26(21)32)16-10-8-6-4-2/h11-14H,3-10,15-16H2,1-2H3
InChI Key:
YQCTVNXZEZYXMJ-UHFFFAOYSA-N
SMILES:
CCCCCCn1c(=O)c2c(c1c1ccc(s1)Br)c(=O)n(c2c1ccc(s1)Br)CCCCCC
Properties
Complexity:
779
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
626.009g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
626.466g/mol
Monoisotopic Mass:
624.012g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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