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163800-97-3 | Pyrazinium, 1-(phenylmethyl)-, bromide (1:1)
CAS No: 163800-97-3 Catalog No: AG001UEM MDL No:
Product Description
Catalog Number:
AG001UEM
Chemical Name:
Pyrazinium, 1-(phenylmethyl)-, bromide (1:1)
CAS Number:
163800-97-3
Molecular Formula:
C11H11BrN2
Molecular Weight:
251.1224
IUPAC Name:
1-benzylpyrazin-1-ium;bromide
InChI:
InChI=1S/C11H11N2.BrH/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;/h1-9H,10H2;1H/q+1;/p-1
InChI Key:
YVAGLNLCWGCFDS-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)C[n+]1ccncc1.[Br-]
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.011g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.127g/mol
Monoisotopic Mass:
250.011g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
16.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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