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Home > Nitro Compounds > 89250-42-0
89250-42-0 | 1,2,4-Oxadiazole, 3-(3-nitrophenyl)-5-(1-pyrrolidinylmethyl)-
CAS No: 89250-42-0 Catalog No: AG00425D MDL No:MFCD04109697
Product Description
Catalog Number:
AG00425D
Chemical Name:
1,2,4-Oxadiazole, 3-(3-nitrophenyl)-5-(1-pyrrolidinylmethyl)-
CAS Number:
89250-42-0
Molecular Formula:
C13H14N4O3
Molecular Weight:
274.2753
MDL Number:
MFCD04109697
IUPAC Name:
3-(3-nitrophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C13H14N4O3/c18-17(19)11-5-3-4-10(8-11)13-14-12(20-15-13)9-16-6-1-2-7-16/h3-5,8H,1-2,6-7,9H2
InChI Key:
MJAQLXGMCDUWPW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1noc(n1)CN1CCCC1
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.107g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.28g/mol
Monoisotopic Mass:
274.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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