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101279-43-0 | 9-Phenanthrenecarboxylic acid, 10-bromo-, methyl ester
CAS No: 101279-43-0 Catalog No: AG000449 MDL No:
Product Description
Catalog Number:
AG000449
Chemical Name:
9-Phenanthrenecarboxylic acid, 10-bromo-, methyl ester
CAS Number:
101279-43-0
Molecular Formula:
C16H11BrO2
Molecular Weight:
315.1613
IUPAC Name:
methyl 10-bromophenanthrene-9-carboxylate
InChI:
InChI=1S/C16H11BrO2/c1-19-16(18)14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)15(14)17/h2-9H,1H3
InChI Key:
SZNGWFISNRFDFH-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(Br)c2ccccc2c2c1cccc2
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.994g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.166g/mol
Monoisotopic Mass:
313.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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