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133208-13-6 | 2-Phenanthrenecarboxylic acid, 7-bromo-9,10-dihydro-, ethyl ester
CAS No: 133208-13-6 Catalog No: AG0014EJ MDL No:
Product Description
Catalog Number:
AG0014EJ
Chemical Name:
2-Phenanthrenecarboxylic acid, 7-bromo-9,10-dihydro-, ethyl ester
CAS Number:
133208-13-6
Molecular Formula:
C17H15BrO2
Molecular Weight:
331.2038
IUPAC Name:
ethyl 7-bromo-9,10-dihydrophenanthrene-2-carboxylate
InChI:
InChI=1S/C17H15BrO2/c1-2-20-17(19)13-5-7-15-11(9-13)3-4-12-10-14(18)6-8-16(12)15/h5-10H,2-4H2,1H3
InChI Key:
JBCLQODDDRVTSV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc2c(c1)CCc1c2ccc(c1)Br
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.026g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.209g/mol
Monoisotopic Mass:
330.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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