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Home > Nitro Compounds > 2060046-94-6
2060046-94-6 | 4-(5-nitro-4H-1,2,4-triazol-3-yl)morpholine
CAS No: 2060046-94-6 Catalog No: AG01BOYO MDL No:MFCD30499718
Product Description
Catalog Number:
AG01BOYO
Chemical Name:
4-(5-nitro-4H-1,2,4-triazol-3-yl)morpholine
CAS Number:
2060046-94-6
Molecular Formula:
C6H9N5O3
Molecular Weight:
199.1674
MDL Number:
MFCD30499718
IUPAC Name:
4-(5-nitro-1H-1,2,4-triazol-3-yl)morpholine
InChI:
InChI=1S/C6H9N5O3/c12-11(13)6-7-5(8-9-6)10-1-3-14-4-2-10/h1-4H2,(H,7,8,9)
InChI Key:
QTBQKIONJHPQOG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nnc([nH]1)N1CCOCC1
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.17g/mol
Monoisotopic Mass:
199.071g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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