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1255099-29-6 | 1,3,4-Oxadiazole, 2-methyl-5-(3-pyrrolidinyl)-, hydrochloride (1:2)
CAS No: 1255099-29-6 Catalog No: AG000NSP MDL No:
Product Description
Catalog Number:
AG000NSP
Chemical Name:
1,3,4-Oxadiazole, 2-methyl-5-(3-pyrrolidinyl)-, hydrochloride (1:2)
CAS Number:
1255099-29-6
Molecular Formula:
C7H13Cl2N3O
Molecular Weight:
226.1036
IUPAC Name:
2-methyl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride
InChI:
InChI=1S/C7H11N3O.2ClH/c1-5-9-10-7(11-5)6-2-3-8-4-6;;/h6,8H,2-4H2,1H3;2*1H
InChI Key:
QCEBYINEXLGLAM-UHFFFAOYSA-N
SMILES:
Cc1nnc(o1)C1CNCC1.Cl.Cl
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
226.101g/mol
Monoisotopic Mass:
225.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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