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101237-18-7 | 2,1,3-Benzoxadiazol-4-amine, 7-nitro-N-2-propen-1-yl-
CAS No: 101237-18-7 Catalog No: AG00040D MDL No:
Product Description
Catalog Number:
AG00040D
Chemical Name:
2,1,3-Benzoxadiazol-4-amine, 7-nitro-N-2-propen-1-yl-
CAS Number:
101237-18-7
Molecular Formula:
C9H8N4O3
Molecular Weight:
220.1848
IUPAC Name:
4-nitro-N-prop-2-enyl-2,1,3-benzoxadiazol-7-amine
InChI:
InChI=1S/C9H8N4O3/c1-2-5-10-6-3-4-7(13(14)15)9-8(6)11-16-12-9/h2-4,10H,1,5H2
InChI Key:
VLSDZFFOEZOBQD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c2c1non2)NCC=C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.06g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.188g/mol
Monoisotopic Mass:
220.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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