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918300-45-5 | 2H-1-Benzopyran-2-one, 3-bromo-7-(phenylmethoxy)-
CAS No: 918300-45-5 Catalog No: AG006GI8 MDL No:
Product Description
Catalog Number:
AG006GI8
Chemical Name:
2H-1-Benzopyran-2-one, 3-bromo-7-(phenylmethoxy)-
CAS Number:
918300-45-5
Molecular Formula:
C16H11BrO3
Molecular Weight:
331.1607
IUPAC Name:
3-bromo-7-phenylmethoxychromen-2-one
InChI:
InChI=1S/C16H11BrO3/c17-14-8-12-6-7-13(9-15(12)20-16(14)18)19-10-11-4-2-1-3-5-11/h1-9H,10H2
InChI Key:
UNWUXSQHBKQZIA-UHFFFAOYSA-N
SMILES:
O=c1oc2cc(OCc3ccccc3)ccc2cc1Br
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.989g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.165g/mol
Monoisotopic Mass:
329.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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