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80866-84-8 | 1-Ethyl-3-hydroxypyridinium bromide
CAS No: 80866-84-8 Catalog No: AG003EAR MDL No:MFCD00011995
Product Description
Catalog Number:
AG003EAR
Chemical Name:
1-Ethyl-3-hydroxypyridinium bromide
CAS Number:
80866-84-8
Molecular Formula:
C7H10BrNO
Molecular Weight:
204.0644
MDL Number:
MFCD00011995
IUPAC Name:
1-ethylpyridin-1-ium-3-ol;bromide
InChI:
InChI=1S/C7H9NO.BrH/c1-2-8-5-3-4-7(9)6-8;/h3-6H,2H2,1H3;1H
InChI Key:
ZGQVRFVHWWFKRP-UHFFFAOYSA-N
SMILES:
CC[n+]1cccc(c1)O.[Br-]
EC Number:
279-588-8
NSC Number:
299557
Properties
Complexity:
85
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.995g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.067g/mol
Monoisotopic Mass:
202.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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