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Home > Nitro Compounds > 477865-14-8
477865-14-8 | 7-[1-(4-nitrophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CAS No: 477865-14-8 Catalog No: AG00INXX MDL No:MFCD00243613
Product Description
Catalog Number:
AG00INXX
Chemical Name:
7-[1-(4-nitrophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CAS Number:
477865-14-8
Molecular Formula:
C13H11N5O3
Molecular Weight:
285.2581
MDL Number:
MFCD00243613
IUPAC Name:
7-[1-(4-nitrophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
InChI:
InChI=1S/C13H11N5O3/c1-9(12-6-7-14-13-15-8-16-17(12)13)21-11-4-2-10(3-5-11)18(19)20/h2-9H,1H3
InChI Key:
DVNSAJAEKMUPSC-UHFFFAOYSA-N
SMILES:
CC(c1ccnc2n1ncn2)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.086g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.263g/mol
Monoisotopic Mass:
285.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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