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71601-17-7 | 4H-Naphtho[1,2-b]pyran-4-one, 6-bromo-2-phenyl-
CAS No: 71601-17-7 Catalog No: AG005GCR MDL No:
Product Description
Catalog Number:
AG005GCR
Chemical Name:
4H-Naphtho[1,2-b]pyran-4-one, 6-bromo-2-phenyl-
CAS Number:
71601-17-7
Molecular Formula:
C19H11BrO2
Molecular Weight:
351.1934
IUPAC Name:
6-bromo-2-phenylbenzo[h]chromen-4-one
InChI:
InChI=1S/C19H11BrO2/c20-16-10-15-17(21)11-18(12-6-2-1-3-7-12)22-19(15)14-9-5-4-8-13(14)16/h1-11H
InChI Key:
LEQYCHQCEBBPRC-UHFFFAOYSA-N
SMILES:
O=c1cc(oc2c1cc(Br)c1c2cccc1)c1ccccc1
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.994g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.199g/mol
Monoisotopic Mass:
349.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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