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15773-96-3 | 4H-1-Benzopyran-4-one, 6,8-dibromo-2,3-dihydro-
CAS No: 15773-96-3 Catalog No: AG001PNW MDL No:MFCD10000848
Product Description
Catalog Number:
AG001PNW
Chemical Name:
4H-1-Benzopyran-4-one, 6,8-dibromo-2,3-dihydro-
CAS Number:
15773-96-3
Molecular Formula:
C9H6Br2O2
Molecular Weight:
305.9507
MDL Number:
MFCD10000848
IUPAC Name:
6,8-dibromo-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C9H6Br2O2/c10-5-3-6-8(12)1-2-13-9(6)7(11)4-5/h3-4H,1-2H2
InChI Key:
NPVIVRRXGMSKTH-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c2c(c1)C(=O)CCO2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.871g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.953g/mol
Monoisotopic Mass:
303.873g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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