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190123-72-9 | Benzoselenazolium, 2-methyl-3-(2-propenyl)-, bromide (9CI)
CAS No: 190123-72-9 Catalog No: AG002EBQ MDL No:
Product Description
Catalog Number:
AG002EBQ
Chemical Name:
Benzoselenazolium, 2-methyl-3-(2-propenyl)-, bromide (9CI)
CAS Number:
190123-72-9
Molecular Formula:
C11H12BrNSe
Molecular Weight:
317.0837
IUPAC Name:
2-methyl-3-prop-2-enyl-1,3-benzoselenazol-3-ium;bromide
InChI:
InChI=1S/C11H12NSe.BrH/c1-3-8-12-9(2)13-11-7-5-4-6-10(11)12;/h3-7H,1,8H2,2H3;1H/q+1;/p-1
InChI Key:
APKJKFOQKQEGDI-UHFFFAOYSA-M
SMILES:
C=CC[n+]1c(C)[se]c2c1cccc2.[Br-]
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.932g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.099g/mol
Monoisotopic Mass:
316.932g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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