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141989-10-8 | Acetic acid, 2-bromo-, 9-anthracenylmethyl ester
CAS No: 141989-10-8 Catalog No: AG001HHQ MDL No:
Product Description
Catalog Number:
AG001HHQ
Chemical Name:
Acetic acid, 2-bromo-, 9-anthracenylmethyl ester
CAS Number:
141989-10-8
Molecular Formula:
C17H13BrO2
Molecular Weight:
329.1879
IUPAC Name:
anthracen-9-ylmethyl 2-bromoacetate
InChI:
InChI=1S/C17H13BrO2/c18-10-17(19)20-11-16-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13)16/h1-9H,10-11H2
InChI Key:
SOTHVENDOPSHRV-UHFFFAOYSA-N
SMILES:
BrCC(=O)OCc1c2ccccc2cc2c1cccc2
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.01g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.193g/mol
Monoisotopic Mass:
328.01g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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