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Home > Nitro Compounds > 321596-14-9
321596-14-9 | 2,4,6-Trinitrobenzoic morpholide
CAS No: 321596-14-9 Catalog No: AG00J9HL MDL No:MFCD01820812
Product Description
Catalog Number:
AG00J9HL
Chemical Name:
2,4,6-Trinitrobenzoic morpholide
CAS Number:
321596-14-9
Molecular Formula:
C11H10N4O8
Molecular Weight:
326.2191
MDL Number:
MFCD01820812
IUPAC Name:
morpholin-4-yl-(2,4,6-trinitrophenyl)methanone
InChI:
InChI=1S/C11H10N4O8/c16-11(12-1-3-23-4-2-12)10-8(14(19)20)5-7(13(17)18)6-9(10)15(21)22/h5-6H,1-4H2
InChI Key:
ZAQNSIFZXDBRIU-UHFFFAOYSA-N
SMILES:
O=C(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N1CCOCC1
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.05g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.221g/mol
Monoisotopic Mass:
326.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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