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Home > Bromides > 1312118-15-2
1312118-15-2 | 2H-Benzotriazole, 4,7-dibromo-2-(1-octylnonyl)-
CAS No: 1312118-15-2 Catalog No: AG000VQO MDL No:
Product Description
Catalog Number:
AG000VQO
Chemical Name:
2H-Benzotriazole, 4,7-dibromo-2-(1-octylnonyl)-
CAS Number:
1312118-15-2
Molecular Formula:
C23H37Br2N3
Molecular Weight:
515.3680
IUPAC Name:
4,7-dibromo-2-heptadecan-9-ylbenzotriazole
InChI:
InChI=1S/C23H37Br2N3/c1-3-5-7-9-11-13-15-19(16-14-12-10-8-6-4-2)28-26-22-20(24)17-18-21(25)23(22)27-28/h17-19H,3-16H2,1-2H3
InChI Key:
PVLCAXJELPVMIK-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(n1nc2c(n1)c(Br)ccc2Br)CCCCCCCC
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
515.133g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
515.378g/mol
Monoisotopic Mass:
513.135g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.9
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