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144449-72-9 | 9-Anthracenecarboxylic acid, 4-bromobutyl ester
CAS No: 144449-72-9 Catalog No: AG001JJQ MDL No:
Product Description
Catalog Number:
AG001JJQ
Chemical Name:
9-Anthracenecarboxylic acid, 4-bromobutyl ester
CAS Number:
144449-72-9
Molecular Formula:
C19H17BrO2
Molecular Weight:
357.2411
IUPAC Name:
4-bromobutyl anthracene-9-carboxylate
InChI:
InChI=1S/C19H17BrO2/c20-11-5-6-12-22-19(21)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:
PDBKCUFIUPRGOO-UHFFFAOYSA-N
SMILES:
BrCCCCOC(=O)c1c2ccccc2cc2c1cccc2
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.041g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.247g/mol
Monoisotopic Mass:
356.041g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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