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3,7-Dibromo-10-hexylphenothiazine

Catalog Number
ACM312924939
CAS Number
312924-93-9
Product Name
3,7-Dibromo-10-hexylphenothiazine
Category
Small Molecule Semiconductor Building Blocks
IUPAC Name
3,7-dibromo-10-hexylphenothiazine
Molecular Weight
441.2g/mol
Molecular Formula
C18H19Br2NS
Canonical SMILES
CCCCCCN1C2=C(C=C(C=C2)Br)SC3=C1C=CC(=C3)Br
InChI
InChI=1S/C18H19Br2NS/c1-2-3-4-5-10-21-15-8-6-13(19)11-17(15)22-18-12-14(20)7-9-16(18)21/h6-9,11-12H,2-5,10H2,1H3
InChI Key
AQBNVQQWRLWFGT-UHFFFAOYSA-N
Complexity
328
Covalently-Bonded Unit Count
1
Exact Mass
440.95845g/mol
Formal Charge
0
Heavy Atom Count
22
Monoisotopic Mass
438.9605g/mol
Rotatable Bond Count
5
XLogP3
7.5
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