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Home > Nitro Compounds > 91397-35-2
91397-35-2 | N-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline
CAS No: 91397-35-2 Catalog No: AG00IMSY MDL No:MFCD00127007
Product Description
Catalog Number:
AG00IMSY
Chemical Name:
N-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline
CAS Number:
91397-35-2
Molecular Formula:
C12H11N3O3
Molecular Weight:
245.2340
MDL Number:
MFCD00127007
IUPAC Name:
N-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline
InChI:
InChI=1S/C12H11N3O3/c1-9-12(15(16)17)11(18-14-9)7-8-13-10-5-3-2-4-6-10/h2-8,13H,1H3
InChI Key:
WXODHMQYMTVPPB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(/C=C/Nc2ccccc2)onc1C
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.238g/mol
Monoisotopic Mass:
245.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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