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130567-42-9 | Pyridinium, 1-(3-chloro-2-hydroxypropyl)-4-methyl-, perchlorate (1:1)
CAS No: 130567-42-9 Catalog No: AG000UN5 MDL No:MFCD00184266
Product Description
Catalog Number:
AG000UN5
Chemical Name:
Pyridinium, 1-(3-chloro-2-hydroxypropyl)-4-methyl-, perchlorate (1:1)
CAS Number:
130567-42-9
Molecular Formula:
C9H13Cl2NO5
Molecular Weight:
286.1092
MDL Number:
MFCD00184266
IUPAC Name:
1-chloro-3-(4-methylpyridin-1-ium-1-yl)propan-2-ol;perchlorate
InChI:
InChI=1S/C9H13ClNO.ClHO4/c1-8-2-4-11(5-3-8)7-9(12)6-10;2-1(3,4)5/h2-5,9,12H,6-7H2,1H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
UBOXOGVREUKHGK-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.ClCC(C[n+]1ccc(cc1)C)O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.017g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.105g/mol
Monoisotopic Mass:
285.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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