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20242-36-8 | Pyridinium, 1-(cyclopropylmethyl)-4-(3-methyl-5-isoxazolyl)-, bromide (1:1)
CAS No: 20242-36-8 Catalog No: AG002889 MDL No:
Product Description
Catalog Number:
AG002889
Chemical Name:
Pyridinium, 1-(cyclopropylmethyl)-4-(3-methyl-5-isoxazolyl)-, bromide (1:1)
CAS Number:
20242-36-8
Molecular Formula:
C13H15BrN2O
Molecular Weight:
295.1750
IUPAC Name:
5-[1-(cyclopropylmethyl)pyridin-1-ium-4-yl]-3-methyl-1,2-oxazole;bromide
InChI:
InChI=1S/C13H15N2O.BrH/c1-10-8-13(16-14-10)12-4-6-15(7-5-12)9-11-2-3-11;/h4-8,11H,2-3,9H2,1H3;1H/q+1;/p-1
InChI Key:
MHSDCECGDFELAS-UHFFFAOYSA-M
SMILES:
Cc1noc(c1)c1cc[n+](cc1)CC1CC1.[Br-]
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.037g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.18g/mol
Monoisotopic Mass:
294.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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