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303205-70-1 | 3H-Naphtho[2,1-b]pyran-3-one, 2-(4-bromophenyl)-
CAS No: 303205-70-1 Catalog No: AG002ZRK MDL No:
Product Description
Catalog Number:
AG002ZRK
Chemical Name:
3H-Naphtho[2,1-b]pyran-3-one, 2-(4-bromophenyl)-
CAS Number:
303205-70-1
Molecular Formula:
C19H11BrO2
Molecular Weight:
351.1934
IUPAC Name:
2-(4-bromophenyl)benzo[f]chromen-3-one
InChI:
InChI=1S/C19H11BrO2/c20-14-8-5-13(6-9-14)16-11-17-15-4-2-1-3-12(15)7-10-18(17)22-19(16)21/h1-11H
InChI Key:
RNEPXAQELHEKOR-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1cc2c(oc1=O)ccc1c2cccc1
Properties
Complexity:
464
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:
5.5
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