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Home > Nitro Compounds > 88903-38-2
88903-38-2 | Diazene, (3-methyl-1-oxo-2-butenyl)(4-nitrophenyl)-
CAS No: 88903-38-2 Catalog No: AG00491E MDL No:
Product Description
Catalog Number:
AG00491E
Chemical Name:
Diazene, (3-methyl-1-oxo-2-butenyl)(4-nitrophenyl)-
CAS Number:
88903-38-2
Molecular Formula:
C11H11N3O3
Molecular Weight:
233.2233
IUPAC Name:
3-methyl-N-(4-nitrophenyl)iminobut-2-enamide
InChI:
InChI=1S/C11H11N3O3/c1-8(2)7-11(15)13-12-9-3-5-10(6-4-9)14(16)17/h3-7H,1-2H3
InChI Key:
LWHDSTVHEAPQTQ-UHFFFAOYSA-N
SMILES:
O=C(C=C(C)C)N=Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.227g/mol
Monoisotopic Mass:
233.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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