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874-80-6 | 1-Butylpyridin-1-ium bromide
CAS No: 874-80-6 Catalog No: AG003E6Q MDL No:MFCD00671496
Product Description
Catalog Number:
AG003E6Q
Chemical Name:
1-Butylpyridin-1-ium bromide
CAS Number:
874-80-6
Molecular Formula:
C9H14BrN
Molecular Weight:
216.1182
MDL Number:
MFCD00671496
IUPAC Name:
1-butylpyridin-1-ium;bromide
InChI:
InChI=1S/C9H14N.BrH/c1-2-3-7-10-8-5-4-6-9-10;/h4-6,8-9H,2-3,7H2,1H3;1H/q+1;/p-1
InChI Key:
KVBQNFMTEUEOCD-UHFFFAOYSA-M
SMILES:
CCCC[n+]1ccccc1.[Br-]
UNII:
F72FD1BSWG
Properties
Complexity:
74.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.122g/mol
Monoisotopic Mass:
215.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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