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155827-12-6 | Anthracene, 9-(4-bromobutyl)-
CAS No: 155827-12-6 Catalog No: AG001O8N MDL No:
Product Description
Catalog Number:
AG001O8N
Chemical Name:
Anthracene, 9-(4-bromobutyl)-
CAS Number:
155827-12-6
Molecular Formula:
C18H17Br
Molecular Weight:
313.2316
IUPAC Name:
9-(4-bromobutyl)anthracene
InChI:
InChI=1S/C18H17Br/c19-12-6-5-11-18-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)18/h1-4,7-10,13H,5-6,11-12H2
InChI Key:
VKDWNMPLUHSKKU-UHFFFAOYSA-N
SMILES:
BrCCCCc1c2ccccc2cc2c1cccc2
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.238g/mol
Monoisotopic Mass:
312.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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