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100330-19-6 | Benzene, 1-methoxy-4-(phenylseleninyl)-
CAS No: 100330-19-6 Catalog No: AG0001NC MDL No:
Product Description
Catalog Number:
AG0001NC
Chemical Name:
Benzene, 1-methoxy-4-(phenylseleninyl)-
CAS Number:
100330-19-6
Molecular Formula:
C13H12O2Se
Molecular Weight:
279.1932
IUPAC Name:
1-methoxy-4-phenylseleninylbenzene
InChI:
InChI=1S/C13H12O2Se/c1-15-11-7-9-13(10-8-11)16(14)12-5-3-2-4-6-12/h2-10H,1H3
InChI Key:
ZEVMYKUQDOHHTP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)[Se](=O)c1ccccc1
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.208g/mol
Monoisotopic Mass:
280g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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