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Home > Bromides > 1159978-70-7
1159978-70-7 | 4H-1-Benzopyran-4-one, 3,7-dibromo-
CAS No: 1159978-70-7 Catalog No: AG000HEI MDL No:
Product Description
Catalog Number:
AG000HEI
Chemical Name:
4H-1-Benzopyran-4-one, 3,7-dibromo-
CAS Number:
1159978-70-7
Molecular Formula:
C9H4Br2O2
Molecular Weight:
303.9349
IUPAC Name:
3,7-dibromochromen-4-one
InChI:
InChI=1S/C9H4Br2O2/c10-5-1-2-6-8(3-5)13-4-7(11)9(6)12/h1-4H
InChI Key:
VRJRKKZNBPQORR-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)occ(c2=O)Br
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.856g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.937g/mol
Monoisotopic Mass:
301.858g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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