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89622-17-3 | 4H-1-Benzopyran-4-one, 3-bromo-2,3-dihydro-3-(phenylmethyl)-
CAS No: 89622-17-3 Catalog No: AG003X0B MDL No:
Product Description
Catalog Number:
AG003X0B
Chemical Name:
4H-1-Benzopyran-4-one, 3-bromo-2,3-dihydro-3-(phenylmethyl)-
CAS Number:
89622-17-3
Molecular Formula:
C16H13BrO2
Molecular Weight:
317.1772
IUPAC Name:
3-benzyl-3-bromo-2H-chromen-4-one
InChI:
InChI=1S/C16H13BrO2/c17-16(10-12-6-2-1-3-7-12)11-19-14-9-5-4-8-13(14)15(16)18/h1-9H,10-11H2
InChI Key:
WQAGVLKXQGVMRW-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2OCC1(Br)Cc1ccccc1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.01g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.182g/mol
Monoisotopic Mass:
316.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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