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Home > Nitro Compounds > 86824-87-5
86824-87-5 | N-butyl-N,2,4,6-tetranitro-aniline
CAS No: 86824-87-5 Catalog No: AG00H1NU MDL No:
Product Description
Catalog Number:
AG00H1NU
Chemical Name:
N-butyl-N,2,4,6-tetranitro-aniline
CAS Number:
86824-87-5
IUPAC Name:
N-butyl-N-(2,4,6-trinitrophenyl)nitramide
InChI:
InChI=1S/C10H11N5O8/c1-2-3-4-11(15(22)23)10-8(13(18)19)5-7(12(16)17)6-9(10)14(20)21/h5-6H,2-4H2,1H3
InChI Key:
SQFDQXDXGZPHHN-UHFFFAOYSA-N
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.061g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.225g/mol
Monoisotopic Mass:
329.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
187A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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