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Home > Nitro Compounds > 177191-14-9
177191-14-9 | Butane, 1,1'-[methylenebis(oxy)]bis[4-azido-3,3-dinitro- (9CI)
CAS No: 177191-14-9 Catalog No: AG00254X MDL No:
Product Description
Catalog Number:
AG00254X
Chemical Name:
Butane, 1,1'-[methylenebis(oxy)]bis[4-azido-3,3-dinitro- (9CI)
CAS Number:
177191-14-9
Molecular Formula:
C9H14N10O10
Molecular Weight:
422.2685
IUPAC Name:
1-azido-4-[(4-azido-3,3-dinitrobutoxy)methoxy]-2,2-dinitrobutane
InChI:
InChI=1S/C9H14N10O10/c10-14-12-5-8(16(20)21,17(22)23)1-3-28-7-29-4-2-9(18(24)25,19(26)27)6-13-15-11/h1-7H2
InChI Key:
XPPFPYSSZPVCBW-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCC([N+](=O)[O-])([N+](=O)[O-])CCOCOCCC([N+](=O)[O-])([N+](=O)[O-])CN=[N+]=[N-]
Properties
Complexity:
619
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.089g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.271g/mol
Monoisotopic Mass:
422.089g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
231A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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