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88735-43-7 | 3H-Naphtho[2,1-b]pyran-3-one, 2-(bromoacetyl)-
CAS No: 88735-43-7 Catalog No: AG00447H MDL No:
Product Description
Catalog Number:
AG00447H
Chemical Name:
3H-Naphtho[2,1-b]pyran-3-one, 2-(bromoacetyl)-
CAS Number:
88735-43-7
Molecular Formula:
C15H9BrO3
Molecular Weight:
317.1342
IUPAC Name:
2-(2-bromoacetyl)benzo[f]chromen-3-one
InChI:
InChI=1S/C15H9BrO3/c16-8-13(17)12-7-11-10-4-2-1-3-9(10)5-6-14(11)19-15(12)18/h1-7H,8H2
InChI Key:
ATGMCRFENOHNLE-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cc2c(oc1=O)ccc1c2cccc1
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.974g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.138g/mol
Monoisotopic Mass:
315.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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