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13329-14-1 | 1-Benzopyrylium, 2-phenyl-, chloride (9CI)
CAS No: 13329-14-1 Catalog No: AG0014JV MDL No:
Product Description
Catalog Number:
AG0014JV
Chemical Name:
1-Benzopyrylium, 2-phenyl-, chloride (9CI)
CAS Number:
13329-14-1
Molecular Formula:
C15H11ClO
Molecular Weight:
242.7002
IUPAC Name:
2-phenylchromenylium;chloride
InChI:
InChI=1S/C15H11O.ClH/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;/h1-11H;1H/q+1;/p-1
InChI Key:
GSGBDETVUFKCRJ-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)c1ccc2c([o+]1)cccc2.[Cl-]
EC Number:
236-371-2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.05g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.702g/mol
Monoisotopic Mass:
242.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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