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119858-85-4 | Ethanol, 2-[methyl(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-
CAS No: 119858-85-4 Catalog No: AG000PS0 MDL No:
Product Description
Catalog Number:
AG000PS0
Chemical Name:
Ethanol, 2-[methyl(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-
CAS Number:
119858-85-4
Molecular Formula:
C9H10N4O4
Molecular Weight:
238.2001
IUPAC Name:
2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethanol
InChI:
InChI=1S/C9H10N4O4/c1-12(4-5-14)6-2-3-7(13(15)16)9-8(6)10-17-11-9/h2-3,14H,4-5H2,1H3
InChI Key:
MMAHXRSYSZZVCZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c2c1non2)N(CCO)C
NSC Number:
299875
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.07g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.203g/mol
Monoisotopic Mass:
238.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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