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Home > Nitro Compounds > 90101-61-4
90101-61-4 | Urea, N,N'-bis(2-azido-2,2-dinitroethyl)-
CAS No: 90101-61-4 Catalog No: AG00H7S7 MDL No:
Product Description
Catalog Number:
AG00H7S7
Chemical Name:
Urea, N,N'-bis(2-azido-2,2-dinitroethyl)-
CAS Number:
90101-61-4
Molecular Formula:
C5H6N12O9
Molecular Weight:
378.1761
IUPAC Name:
1,3-bis(2-azido-2,2-dinitroethyl)urea
InChI:
InChI=1S/C5H6N12O9/c6-12-10-4(14(19)20,15(21)22)1-8-3(18)9-2-5(11-13-7,16(23)24)17(25)26/h1-2H2,(H2,8,9,18)
InChI Key:
BAHZSMRODKSKAH-UHFFFAOYSA-N
SMILES:
O=C(NCC([N+](=O)[O-])([N+](=O)[O-])N=[N+]=[N-])NCC([N+](=O)[O-])([N+](=O)[O-])N=[N+]=[N-]
Properties
Complexity:
623
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.038g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
378.178g/mol
Monoisotopic Mass:
378.038g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
253A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.2
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